SCHEMBL4771783

SCHEMBL4771783

C=C(C(=O)NN(CCC)CCCCCCCCCCCC)C(C)C.C=CN1CCC(C=C(C)C(=O)NCCCN(C)C)C1=O.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.31

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 2)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.31
ALDH1A1 P00352 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
SCHEMBL18036284 0.86 CA12 (0.38) ALDH1A1
SCHEMBL4779656 0.84 DNM1 (0.32) DNM1ALDH1A1
SCHEMBL2771666 0.77 MCHR1 (0.43) ALDH1A1
SCHEMBL3272368 0.76 KDM4E (0.38) ALDH1A1
SCHEMBL1076861 0.70 CA12 (0.38) ALDH1A1
SCHEMBL5698977 0.68 RAB9A (0.41) ALDH1A1
SCHEMBL14940700 0.67 ALDH1A1 (0.43) ALDH1A1
SCHEMBL2860170 0.66 CA12 (0.52) ALDH1A1
SCHEMBL17202969 0.66 DNM1 (0.31) DNM1ALDH1A1
SCHEMBL5135589 0.64 MCHR1 (0.57) DNM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1413289-B1 Composition for oxidative dyeing of keratinous fibres containing a cationic polyvinyllactam and at least one C10-C14 fatty alcohol, and methods and kits for oxidative dyeing process OREAL (FR) 2008-07-23 EP claimed