SCHEMBL10140979

SCHEMBL10140979

Bc1ccc2[nH]c(C3CCCN3C(=O)OC(C)(C)C)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 3/20 0.39
EPHX2 P34913 1/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 4/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CHEK2 O96017 1/20 0.37
UCHL1 P09936 1/20 0.37
USP30 Q70CQ3 2/20 0.36

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
SCHEMBL13187564 1.00 NPSR1 (0.40) NPSR1LMNAL3MBTL1NPC1ALDH1A1
SCHEMBL889108 0.87 KMT2A (0.42) NPSR1LMNAL3MBTL1NPC1ALDH1A1
SCHEMBL13122937 0.87 KMT2A (0.42) NPSR1LMNAL3MBTL1NPC1ALDH1A1
SCHEMBL1465557 0.84 NR1H2 (0.42) NPSR1LMNAL3MBTL1NPC1ALDH1A1
SCHEMBL30864262 0.82 CYP2C9 (0.53) NPSR1LMNAL3MBTL1NPC1ALDH1A1
SCHEMBL14827714 0.79 CHEK2 (0.41) L3MBTL1CHEK2UCHL1USP30
SCHEMBL14827717 0.79 CHEK2 (0.41) L3MBTL1CHEK2UCHL1USP30
SCHEMBL9980275 0.79 HCRTR1 (0.49)
SCHEMBL13156120 0.78 USP30 (0.37) NPSR1LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL31746669 0.77 UCHL1 (0.40) NPSR1LMNAL3MBTL1ALDH1A1MAPT

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
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-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-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed