SCHEMBL10140606

SCHEMBL10140606

CCC(=O)[C@H](Cc1ccncc1)NC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.44
▸ CTSK P43235 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ ITGB7 P26010 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ACE P12821 1/20 0.38
▸ GPR132 Q9UNW8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ POLB P06746 1/20 0.37

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
SCHEMBL13255750 1.00 ACACB (0.44) ACACBCTSKMMP2MMP9MMP8
SCHEMBL6752505 0.86 ACE (0.54) CTSKACE
SCHEMBL6192633 0.85 ALDH1A1 (0.43) CTSKMMP2MMP9MMP8ALDH1A1
SCHEMBL29166052 0.85 ITGA4 (0.51) ACACBITGA4ITGB7ALDH1A1CYP3A4
SCHEMBL8921709 0.85 POLB (0.51) CTSKMMP2ALDH1A1CYP3A4ACE
SCHEMBL754140 0.85 ITGA4 (0.51) ACACBITGA4ITGB7ALDH1A1CYP3A4
SCHEMBL15355011 0.85 POLB (0.51) CTSKMMP2ALDH1A1CYP3A4ACE
SCHEMBL14850462 0.85 ACACB (0.46) ACACBCTSKMMP2MMP9MMP8
SCHEMBL30476824 0.85 ATM (0.50) ACACBALDH1A1GAAHSD17B10LMNA
SCHEMBL8917692 0.85 POLB (0.51) CTSKMMP2ALDH1A1CYP3A4ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426458-B2 Hepatitis C Virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-04-23 — — US disclosed
WO-2013052362-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-11 — — WO disclosed
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 — — WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 — — WO disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 — — WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 — — WO disclosed
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