SCHEMBL7815484

SCHEMBL7815484

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NO)C(CCc1ccccc1)(CC(C)C)C(=O)CC(=O)c1ncc[nH]1.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 1)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.31

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
SCHEMBL6984090 0.82 AGTR2 (0.32) MMP8
SCHEMBL6980577 0.81 MMP1 (0.35)
SCHEMBL6980436 0.79 MMP8 (0.36) MMP8
SCHEMBL6981696 0.77 RAB9A (0.35) MMP8
SCHEMBL6983030 0.77 MMP1 (0.32) MMP8
SCHEMBL6980731 0.77 AGTR2 (0.34) MMP8
SCHEMBL7818583 0.76 ADAM17 (0.33)
SCHEMBL6983143 0.74 ALDH1A1 (0.34) MMP8
SCHEMBL7102324 0.74 MMP8 (0.34) MMP8
SCHEMBL6982555 0.74 ECE1 (0.33) MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed