SCHEMBL686652

SCHEMBL686652

C=CC(=O)NC(CCC)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TGM2 P21980 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACACB O00763 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Lithium Ion SCHEMBL9625582 0.97 TSHR (0.41) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
Potassium Ion SCHEMBL5033981 0.97 TSHR (0.41) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
Acrylamide SCHEMBL3827026 0.94 TSHR (0.37) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
SCHEMBL28598555 0.88 ZDHHC20 (0.45) TSHRZDHHC20ZDHHC2NFKB1TGM2
SCHEMBL29257467 0.88 ZDHHC20 (0.45) TSHRZDHHC20ZDHHC2NFKB1TGM2
SCHEMBL1561975 0.86 TSHR (0.44) TSHRZDHHC20ZDHHC2CYP3A4TGM2
Lithium Ion SCHEMBL6898224 0.83 TSHR (0.44) TSHRZDHHC20ZDHHC2CYP3A4TGM2
Potassium Ion SCHEMBL3660409 0.83 TSHR (0.44) TSHRZDHHC20ZDHHC2CYP3A4TGM2
SCHEMBL21951 0.83 TSHR (0.44) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
Ammonia Solution, Strong SCHEMBL139207 0.81 TSHR (0.42) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 159 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922824-B Intelligent water flooding process for enhanced hydrocarbon recovery 沙特阿拉伯石油公司 2020-06-23 CN claimed
US-10053616-B2 Encapsulated nanocompositions for increasing hydrocarbon recovery SAUDI ARABIAN OIL COMPANY (SA) 2018-08-21 US claimed
US-10000687-B2 Smart water flooding processes for increasing hydrocarbon recovery SAUDI ARABIAN OIL COMPANY (SA) 2018-06-19 US claimed
EP-3325570-A1 SMART WATER FLOODING PROCESSES FOR INCREASING HYDROCARBON RECOVERY Saudi Arabian Oil Company (SA) 2018-05-30 EP claimed
EP-3280779-A1 ENCAPSULATED NANOCOMPOSITIONS FOR INCREASING HYDROCARBON RECOVERY Saudi Arabian Oil Company (SA) 2018-02-14 EP claimed
US-9834730-B2 Use of emulsion polymers to flocculate solids in organic liquids ECOLAB USA INC. (US) 2017-12-05 US claimed
WO-2017015014-A1 SMART WATER FLOODING PROCESSES FOR INCREASING HYDROCARBON RECOVERY SAUDI ARABIAN OIL COMPANY (SA) 2017-01-26 WO claimed
US-20170015893-A1 SMART WATER FLOODING PROCESSES FOR INCREASING HYDROCARBON RECOVERY SAUDI ARABIAN OIL COMPANY (SA) 2017-01-19 US claimed
US-20160298022-A1 ENCAPSULATED NANOCOMPOSITIONS FOR INCREASING HYDROCARBON RECOVERY SAUDI ARABIAN OIL COMPANY (SA) 2016-10-13 US claimed
WO-2016164773-A1 ENCAPSULATED NANOCOMPOSITIONS FOR INCREASING HYDROCARBON RECOVERY SAUDI ARABIAN OIL COMPANY (SA) 2016-10-13 WO claimed
US-6225430-B1 FOR INHIBITING PRECIPITATION AND DEPOSITION OF SCALE ON METAL SURFACES IN CONTACT WITH INDUSTRIAL COOLING WATERS NALCO CHEMICAL COMPANY 2001-05-01 US claimed
EP-0984990-A1 PREPARATION OF WATER SOLUBLE POLYMER DISPERSIONS FROM VINYLAMIDE MONOMERS NALCO CHEMICAL COMPANY (US) 2000-03-15 EP claimed
EP-0970258-A1 POLYMERIC COMBINATIONS USED AS COPPER AND PRECIOUS METAL HEAP LEACHING AGGLOMERATION AIDS NALCO CHEMICAL COMPANY (US) 2000-01-12 EP claimed
WO-1999020803-A1 POLYMERIC COMBINATIONS USED AS COPPER AND PRECIOUS METAL HEAP LEACHING AGGLOMERATION AIDS NALCO CHEMICAL COMPANY (US) 1999-04-29 WO claimed
WO-1998054234-A1 PREPARATION OF WATER SOLUBLE POLYMER DISPERSIONS FROM VINYLAMIDE MONOMERS NALCO CHEMICAL COMPANY (US) 1998-12-03 WO claimed
US-5833937-A AGGLOMERATING BY SEQUENTIAL ADDITION OF FIRST WATER SOLUBLE ANIONIC OR NONIONIC POLYMER AND SECOND CATIONIC WATER SOLUBLE POLYMER NALCO CHEMICAL COMPANY (US) 1998-11-10 US claimed
EP-0832854-A1 Sulfobetaine-containing polymers and their utility as calcium carbonate scale inhibitors NALCO CHEMICAL COMPANY (US) 1998-04-01 EP claimed
WO-1994027025-A1 CEMENTING COMPOSITION AND METHOD USING PHOSPHONATED POLYMERS TO IMPROVE CEMENT SLURRY PROPERTIES BJ SERVICES COMPANY (US) 1994-11-24 WO claimed
US-5336316-A Oil and gas wells BJ SERVICES COMPANY (US) 1994-08-09 US claimed
US-5025040-A Of water, hydraulic cement and a blend of acrylamide-vinylimidzole copolymer and acrylamide-vinylimidazole-acrylamidomethyl propane sulfonic acid sodium salt terpolymer BASF (US) 1991-06-18 US claimed