SCHEMBL845131

SCHEMBL845131

CCc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3CC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
TRPV1 Q8NER1 1/20 0.44
EP300 Q09472 1/20 0.44
CREBBP Q92793 1/20 0.44

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
SCHEMBL845007 1.00 PABPC1 (0.49) PABPC1ALDH1A1CYP2C19CYP2C9MEN1
SCHEMBL13272394 0.93 MEN1 (0.47) PABPC1ALDH1A1CYP2C19CYP2C9MEN1
SCHEMBL845431 0.92 TRPV1 (0.43) PABPC1ALDH1A1CYP2C19CYP2C9MEN1
SCHEMBL845935 0.91 PABPC1 (0.44) PABPC1ALDH1A1CYP2C19CYP2C9MEN1
SCHEMBL845392 0.89 ALDH1A1 (0.51) PABPC1ALDH1A1CYP2C19CYP2C9MEN1
SCHEMBL845285 0.88 GAA (0.48) PABPC1ALDH1A1CYP2C19CYP2C9LMNA
SCHEMBL845333 0.88 PABPC1 (0.48) PABPC1ALDH1A1CYP2C19CYP2C9MEN1
SCHEMBL845008 0.88 ALDH1A1 (0.54) ALDH1A1CYP2C19CYP2C9MEN1KMT2A
SCHEMBL845355 0.88 ALDH1A1 (0.50) PABPC1ALDH1A1CYP2C19CYP2C9MEN1
SCHEMBL844996 0.87 CYP2C9 (0.50) PABPC1ALDH1A1CYP2C19CYP2C9MEN1

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