SCHEMBL13748438

SCHEMBL13748438

Cc1ccc(C(=O)CC(=O)OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 1/20 0.62
LMNA P02545 4/20 0.55
ALDH1A1 P00352 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 2/20 0.51
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL2645447 0.89 ALDH1A1 (0.61) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL5370096 0.87 ALDH1A1 (0.56) KMT2AMEN1LMNAALDH1A1L3MBTL1
SCHEMBL5754659 0.86 RAB9A (0.59) NPC1RAB9AKMT2ALMNAALDH1A1
SCHEMBL10252731 0.84 ALDH1A1 (0.53) RAB9AKMT2AMEN1LMNAALDH1A1
SCHEMBL12159688 0.84 KMT2A (0.58) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL28488994 0.83 ERCC5 (0.60) KMT2ALMNAALDH1A1L3MBTL1MAPK1
SCHEMBL6519694 0.83 KMT2A (0.59) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL3493914 0.81 RAB9A (0.58) NPC1RAB9ALMNAALDH1A1MAPK1
SCHEMBL6057219 0.80 KMT2A (0.76) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL572 0.80 KMT2A (0.58) NPC1RAB9AKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2009102318-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed