SCHEMBL2809548

SCHEMBL2809548

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

nearest known ligand 0.39

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 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
TGM2 P21980 1/20 0.32

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
Potassium Ion SCHEMBL5033982 0.97 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
Lithium Ion SCHEMBL9625585 0.97 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
Acrylamide SCHEMBL7738764 0.94 TSHR (0.35) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL29737440 0.87 BBOX1 (0.34) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28300 0.83 ZDHHC20 (0.44) TSHRALDH1A1MAPK1TDP1ZDHHC20
Ammonia Solution, Strong SCHEMBL139208 0.81 ZDHHC20 (0.43) TSHRALDH1A1MAPK1TDP1ZDHHC20
Hydrochloric Acid SCHEMBL28069295 0.81 ZDHHC20 (0.43) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL686653 0.81 ZDHHC20 (0.43) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8322848 0.79 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
Acrylic Acid SCHEMBL7528349 0.79 ZDHHC20 (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20

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 146 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
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-20050119146-A1 Surfactant composition containing amphiphilic copolymer NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2005-06-02 US claimed
US-6017994-A PREVENTING CORROSION AND SCALE DEPOSITION ON METAL SURFACES IN WATER SYSTEM BY TREATING WITH A WATER-SOLUBLE ACRYLAMIDES COPOLYMERS NALCO CHEMICAL COMPANY (US) 2000-01-25 US claimed
US-6005040-A PRECURSOR MATERIAL CONTAINING SELECTED CERAMIC POWDERS AND POLYMER; MIXING, DISPERSING, DRY PRESSING AND HEATING NALCO CHEMICAL COMPANY (US) 1999-12-21 US claimed
EP-0956275-A2 PREPARATION AND UTILITY OF WATER-SOLUBLE POLYMERS HAVING PENDANT DERIVATIZED AMIDE, ESTER OR ETHER FUNCTIONALITIES AS CERAMICS DISPERSANTS AND BINDERS NALCO CHEMICAL COMPANY (US) 1999-11-17 EP claimed
US-5880237-A POLYACRYLIC AMIDES FOR BINDING CERAMICS NALCO CHEMICAL COMPANY (US) 1999-03-09 US claimed
EP-0887316-A1 Utility of water-soluble polymers having pendant derivatized amide functionalities for scale control NALCO CHEMICAL COMPANY (US) 1998-12-30 EP claimed
WO-1998033750-A2 PREPARATION AND UTILITY OF WATER-SOLUBLE POLYMERS HAVING PENDANT DERIVATIZED AMIDE, ESTER OR ETHER FUNCTIONALITIES AS CERAMICS DISPERSANTS AND BINDERS NALCO CHEMICAL COMPANY (US) 1998-08-06 WO claimed
US-5788866-A PREVENT PRECIPITATION OF SCALE ON METAL SURFACES NALCO CHEMICAL COMPANY (US) 1998-08-04 US claimed
US-5726267-A POLYETHER-ACRYLIC AMIDE COPOLYMERS, BINDERS FOR CERAMICS, LOW VISCOSITY NALCO CHEMICAL COMPANY (US) 1998-03-10 US 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