SCHEMBL10140642

SCHEMBL10140642

CCC(=O)C(c1cccs1)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KEAP1 Q14145 1/20 0.40
OPRM1 P35372 3/20 0.40
OPRK1 P41145 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL19334012 0.84 ALOX5 (0.40) ALOX5CES2CES1KEAP1OPRM1
SCHEMBL890162 0.81 ALOX5 (0.47) ALOX5CES2CES1KEAP1OPRM1
SCHEMBL755753 0.81 ALOX5 (0.47) ALOX5CES2CES1KEAP1OPRM1
SCHEMBL13748245 0.79 ALOX5 (0.54) ALOX5CES2CES1KEAP1OPRM1
Hydrochloric Acid SCHEMBL3892301 0.79 ALOX5 (0.46) ALOX5CES2CES1KEAP1OPRM1
SCHEMBL888872 0.78 ALOX5 (0.49) ALOX5CES2CES1KEAP1OPRM1
SCHEMBL8355361 0.77 ALOX5 (0.47) ALOX5CES2CES1KEAP1TSHR
SCHEMBL14665159 0.77 CES2 (0.56) ALOX5CES2CES1KEAP1KDM4E
SCHEMBL19578288 0.77 ALOX5 (0.42) ALOX5CES2CES1KEAP1OPRM1
SCHEMBL22361412 0.77 ALOX5 (0.44) ALOX5CES2CES1KEAP1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013059278-A2 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-25 WO 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-2011127350-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-10-13 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-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
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 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