SCHEMBL845211

SCHEMBL845211

C=C(OCC)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)C3(C(N)=O)CC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 7/20 0.44
CREBBP Q92793 7/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
PABPC1 P11940 1/20 0.42
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.38
MAPK1 P28482 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
SCHEMBL844930 0.92 KDM4E (0.51) EP300CREBBPKDM4ELMNAPABPC1
SCHEMBL844920 0.88 EP300 (0.48) EP300CREBBPHTTALDH1A1CYP2C9
SCHEMBL845295 0.80 KDM4E (0.61) KDM4ELMNAPABPC1HTTGAA
SCHEMBL844929 0.76 EP300 (0.53) EP300CREBBPPABPC1HTTALDH1A1
SCHEMBL845251 0.73 PABPC1 (0.50) EP300CREBBPKDM4ELMNAPABPC1
SCHEMBL845923 0.73 KDM4E (0.56) KDM4ELMNAPABPC1ALDH1A1CYP2C9
SCHEMBL845206 0.73 CYP2C9 (0.52) EP300CREBBPKDM4ELMNAPABPC1
SCHEMBL845258 0.72 MAPK1 (0.60) EP300CREBBPKDM4ELMNAPABPC1
SCHEMBL872886 0.72 KDM4E (0.52) KDM4ELMNAPABPC1HTTGAA
SCHEMBL844922 0.71 EP300 (0.48) EP300CREBBPHTTALDH1A1CYP2C9

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 1 patent. 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