SCHEMBL10140640

SCHEMBL10140640

CCC(=O)C(c1cccc2ccccc12)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL19334130 0.83 KDM4E (0.41)
SCHEMBL756262 0.82 ALDH1A1 (0.45) AOC3CYP2C9CYP2C19HPGDHTT
SCHEMBL3826728 0.82 ALDH1A1 (0.44) AOC3CYP2C9CYP2C19HPGDHTT
SCHEMBL888804 0.79 ALOX5 (0.43) CYP2C9CYP2C19ALDH1A1CYP1A2OPRM1
SCHEMBL14258602 0.79 KMT2A (0.44) CYP2C9CYP2C19HPGDHTTALDH1A1
SCHEMBL19578171 0.79 LMNA (0.40) OPRM1OPRD1OPRK1ALOX5
SCHEMBL10120609 0.78 ALDH1A1 (0.41) AOC3CYP2C9CYP2C19HPGDHTT
SCHEMBL8916528 0.78 NISCH (0.47) AOC3ALDH1A1OPRM1
SCHEMBL8915601 0.78 MC4R (0.41) ALDH1A1OPRM1
SCHEMBL8916466 0.78 NISCH (0.47) AOC3ALDH1A1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
WO-2013059278-A2 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 WO disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed