SCHEMBL788087

SCHEMBL788087

CCCCCCCCC(CCCCCCCC)(CC(=O)[O-])C(=O)OS(=O)(=O)O.[Na+]

nearest known ligand 0.37

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 17)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 2/20 0.35
CES2 O00748 2/20 0.37
RECQL P46063 2/20 0.34
SMPD1 P17405 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
EPHX2 P34913 1/20 0.34
BLM P54132 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FAAH O00519 2/20 0.33

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
SCHEMBL1984429 1.00 CES2 (0.37) CES2CA1RECQLSMPD1GLA
SCHEMBL6848142 1.00 CES2 (0.37) CES2CA1RECQLSMPD1GLA
SCHEMBL10430528 1.00 CES2 (0.37) CES2CA1RECQLSMPD1GLA
SCHEMBL486057 1.00 CES2 (0.37) CES2CA1RECQLSMPD1GLA
SCHEMBL2350328 1.00 CES2 (0.37) CES2CA1RECQLSMPD1GLA
Lithium Ion SCHEMBL6258171 0.97 CES2 (0.37) CES2SMPD1MEN1MAPTKMT2A
Lithium Ion SCHEMBL6258184 0.97 CES2 (0.37) CES2SMPD1MEN1MAPTKMT2A
SCHEMBL6261811 0.89 FFAR3 (0.32) CA1
SCHEMBL289231 0.84 TDP1 (0.39) TSHRGPR84MEN1KMT2A
SCHEMBL12474251 0.84 TDP1 (0.39) TSHRGPR84MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024142090-A1 A SYNERGISTIC FUNGICIDAL COMPOSITION FOR AGRICULTURAL USE MIKUSU INDIA PRIVATE LIMITED (IN) 2024-07-04 WO claimed
WO-2024121865-A1 SYNERGISTIC AGROCHEMICAL INSECTICIDAL COMPOSITION MIKUSU INDIA PRIVATE LIMITED (IN) 2024-06-13 WO claimed
WO-2024013738-A1 PYMETROZINE AQUEOUS COMPOSITIONS ADAMA MAKHTESHIM LTD. (IL) 2024-01-18 WO claimed
US-20240009120-A1 Ocular Compositions and Methods Thereof UNIVERSITY OF MISSISSIPPI MEDICAL CENTER 2024-01-11 US claimed
EP-4288026-A1 COMPOSITIONS COMPRISING A MULTI-TAIL SURFACTANT AND A CATIONIC POLYMER AND USES SPECIALTY OPERATIONS FRANCE (FR) 2023-12-13 EP claimed
WO-2021234554-A2 NOVEL COMPOSITION FOR THE TREATMENT OF VIRAL INFECTIONS LYRUS LIFE SCIENCES PVT LTD (IN) 2021-11-25 WO claimed
WO-2018154364-A1 A COMPOSITION REDISPERSIBLE IN POLAR AND NON-POLAR SOLVENTS TATA CHEMICALS LIMITED (IN) 2018-08-30 WO claimed
US-20170189546-A1 Ocular Compositions and Methods Thereof UNIVERSITY OF MISSISSIPPI MEDICAL CENTER 2017-07-06 US claimed
EP-3119445-A1 WOUND DRESSING Medtrade Products Limited (GB) 2017-01-25 EP claimed
EP-3043778-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING REFAMETINIB Bayer Pharma Aktiengesellschaft (DE) 2016-07-20 EP claimed
US-20020042976-A1 Method for manufacturing solid electrolytic capacitor using functional polymer electrolytic composition SAMWHA ELECTRIC CO., LTD. (KR) 2002-04-18 US claimed
EP-0596989-A1 AQUEOUS COMPOSITIONS Laporte Industries Limited (GB) 1994-05-18 EP claimed
WO-1993003125-A1 AQUEOUS COMPOSITIONS LAPORTE INDUSTRIES LIMITED (GB) 1993-02-18 WO claimed
EP-0251456-B1 COAL DEWATERING The British Petroleum Company p.l.c. (GB) 1992-03-04 EP claimed
US-4853133-A ADDING WATER SOLUBLE ANIONIC SURFACTANT, CENTRIFUGING, ADDING CATIONIC FOAM SUPPRESSANT THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1989-08-01 US claimed
EP-0251456-A1 Coal dewatering The British Petroleum Company p.l.c. (GB) 1988-01-07 EP claimed
WO-1987006855-A1 COAL DEWATERING THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1987-11-19 WO claimed
US-4381267-A FIBERS OF MATERIAL SUCH AS A POLYSULFONE OR AN ACRYLIC COPOLYMER INCORPORATE A WETTING AGENT SUCH AS SODIUM DIOCTYL SULFOSUCCINATE JACKSON RICHARD R 1983-04-26 US claimed
EP-0009543-B1 NESTED HOLLOW FIBER HUMIDIFIER Jackson, Richard R., Dr. (US) 1982-12-08 EP claimed
US-3954498-A AMMONIUM PERSULFATE, SODIUM CHLORATE AND A SURFACTANT MOTOROLA, INC. (US) 1976-05-04 US claimed