SCHEMBL872930

SCHEMBL872930

CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
PABPC1 P11940 1/20 0.48
TSHR P16473 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HCRTR2 O43614 5/20 0.42
HCRTR1 O43613 3/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL845312 0.91 GAA (0.60) GAAPABPC1TSHRKMT2AMEN1
SCHEMBL874313 0.91 MAPK1 (0.50) GAATSHRKMT2AMEN1LMNA
SCHEMBL873465 0.90 KDM4E (0.47) GAAPABPC1TSHRKDM4ELMNA
SCHEMBL873862 0.88 ALDH1A1 (0.45) GAAPABPC1TSHRKDM4ELMNA
SCHEMBL871771 0.88 PABPC1 (0.44) GAAPABPC1TSHRKMT2AMEN1
SCHEMBL10119619 0.85 MAPK1 (0.46) GAAKMT2AMEN1LMNAMAPK1
SCHEMBL874324 0.85 MAPK1 (0.42) GAAPABPC1LMNAMAPK1CYP2C9
SCHEMBL874056 0.85 TRPV1 (0.42) TSHRKMT2AMEN1L3MBTL1MAPK1
SCHEMBL845518 0.84 GAA (0.52) GAAPABPC1TSHRKMT2AMEN1
SCHEMBL872886 0.83 KDM4E (0.52) GAAPABPC1TSHRKMT2AMEN1

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