SCHEMBL845312

SCHEMBL845312

CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3OCC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
PABPC1 P11940 1/20 0.56
TSHR P16473 3/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 2/20 0.48
HCRTR2 O43614 5/20 0.48
HCRTR1 O43613 3/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL845518 0.92 GAA (0.52) GAAPABPC1TSHRKMT2AMEN1
SCHEMBL872930 0.91 GAA (0.52) GAAPABPC1TSHRKMT2AMEN1
SCHEMBL845284 0.89 MAPK1 (0.58) GAAPABPC1KMT2AMEN1LMNA
SCHEMBL845005 0.89 KDM4E (0.54) GAAPABPC1TSHRKDM4ELMNA
SCHEMBL845021 0.86 ALDH1A1 (0.53) GAAPABPC1TSHRKDM4ELMNA
SCHEMBL845007 0.86 PABPC1 (0.49) GAAPABPC1KMT2AMEN1KDM4E
SCHEMBL845131 0.86 PABPC1 (0.49) GAAPABPC1KMT2AMEN1KDM4E
SCHEMBL845301 0.86 PABPC1 (0.51) GAAPABPC1TSHRKMT2AMEN1
SCHEMBL845285 0.85 GAA (0.48) GAAPABPC1KDM4ELMNAMAPK1
SCHEMBL845305 0.85 GAA (0.58) GAAPABPC1TSHRKMT2AKDM4E

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
EP-1893573-B1 INHIBITORS OF HCV REPLICATION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed