SCHEMBL845333

SCHEMBL845333

CCc1cccc(CC)c1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3c(CC)cccc3CC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.44
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
NPC1 O15118 1/20 0.43
EP300 Q09472 1/20 0.43
CREBBP Q92793 1/20 0.43

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
SCHEMBL845095 0.94 NPSR1 (0.47) PABPC1ALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL845007 0.88 PABPC1 (0.49) PABPC1ALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL845131 0.88 PABPC1 (0.49) PABPC1ALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL13272394 0.82 MEN1 (0.47) PABPC1ALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL845251 0.82 PABPC1 (0.50) PABPC1ALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL845285 0.81 GAA (0.48) PABPC1ALDH1A1CYP2C9CYP2C19GAA
SCHEMBL845431 0.81 TRPV1 (0.43) PABPC1ALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL845300 0.81 CYP2C9 (0.54) PABPC1ALDH1A1CYP2C9CYP2C19MAPK1
SCHEMBL845070 0.81 TRPV1 (0.44) PABPC1ALDH1A1CYP2C9CYP2C19GAA
SCHEMBL845935 0.80 PABPC1 (0.44) PABPC1ALDH1A1CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed