SCHEMBL9713447

SCHEMBL9713447

CCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.57

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 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.57
DNM1 Q05193 2/20 0.54
CASP2 P42575 1/20 0.53
EPHX2 P34913 4/20 0.51
NAAA Q02083 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SELP P16109 1/20 0.48
HSP90AA1 P07900 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL9362964 1.00 FAAH (0.57) FAAHDNM1CASP2EPHX2NAAA
SCHEMBL5949791 1.00 FAAH (0.57) FAAHDNM1CASP2EPHX2NAAA
SCHEMBL9846725 1.00 FAAH (0.57) FAAHDNM1CASP2EPHX2NAAA
SCHEMBL9327574 1.00 FAAH (0.57) FAAHDNM1CASP2EPHX2NAAA
Potassium Ion SCHEMBL6756201 0.97 FAAH (0.57) FAAHDNM1CASP2EPHX2NAAA
SCHEMBL688390 0.97 FAAH (0.57) FAAHDNM1CASP2EPHX2NAAA
SCHEMBL688115 0.97 FAAH (0.57) FAAHDNM1CASP2EPHX2NAAA
SCHEMBL9362951 0.97 FAAH (0.57) FAAHDNM1CASP2EPHX2NAAA
SCHEMBL4408168 0.94 FAAH (0.54) FAAHDNM1CASP2EPHX2NAAA
SCHEMBL29004803 0.92 FAAH (0.58) FAAHDNM1CASP2EPHX2NAAA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3664769-B1 HIGH OIL-CONTENT FOAMING EMULSION AND USES THEREOF, IN PARTICULAR FOR PERSONAL HYGIENE LABORATOIRES DE BIOLOGIE VEGETALE YVES ROCHER (FR) 2023-07-26 EP claimed
US-20160160642-A1 GENERATING SEISMIC PULSES USING PIEZOELECTRIC DEVICES TO MAP FRACTURES HALLIBURTON ENERGY SERVICES, INC. 2016-06-09 US disclosed
EP-0280492-B1 LIPOSOME COMPOSITION AND ITS PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1992-01-22 EP disclosed
US-5019394-A Saturated Phopholipid Membrane, Drug Delivery TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-28 US disclosed
US-4342657-A Method for breaking petroleum emulsions and the like using thin film spreading agents comprising a polyether polyol MAGNA CORPORATION (US) 1982-08-03 US disclosed
US-4326983-A MIXTURE WITH A HYDROTROPIC AGENT, A WETTING AGENT, AND WATER; DEEMULSIFIERS; ENHANCED OIL RECOVERY MAGNA CORPORATION (US) 1982-04-27 US disclosed
US-4326985-A MIXTURE WITH A HYDROTROPIC AGENT, A WETTING AGENT, AND WATER; DEEMULSIFIERS; ENHANCED OIL RECOVERY MAGNA CORPORATION (US) 1982-04-27 US disclosed
US-4326984-A DEMULSIFIERS MAGNA CORPORATION (US) 1982-04-27 US disclosed
US-4326968-A Method for breaking petroleum emulsions and the like using micellar solutions of thin film spreading agents comprising polyepoxide condensates of resinous polyalkylene oxide adducts and polyether polyols MAGNA CORPORATION (US) 1982-04-27 US disclosed
US-4316808-A Method for breaking petroleum emulsions and the like using micellar solutions of thin film spreading agents comprising an acylated polyether polyol MAGNA CORPORATION (US) 1982-02-23 US disclosed
US-4309306-A DEMULSIFIERS FOR WATER IN OIL EMULSIONS; ENHANCED OIL RECOVERY MAGNA CORPORATION (US) 1982-01-05 US disclosed
US-4306981-A THIN FILM SPREADING AGENTS COMPRISING ALKYLENE OXIDE-MODIFIED PHENOLIC RESIN, HYDROTROPIC AND AMPHIPHATIC AGENTS, AND WATER MAGNA CORPORATION (US) 1981-12-22 US disclosed