SCHEMBL845301

SCHEMBL845301

CCOc1ncccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cccnc3OCC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.51
KDM4E B2RXH2 3/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.49
RXFP1 Q9HBX9 2/20 0.48
HCRTR2 O43614 2/20 0.46
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.43
PPARG P37231 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HCRTR1 O43613 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL871771 0.92 PABPC1 (0.44) PABPC1KDM4EGAALMNARXFP1
SCHEMBL13272508 0.89 GAA (0.42) PABPC1KDM4EGAALMNARXFP1
SCHEMBL845312 0.86 GAA (0.60) PABPC1KDM4EGAALMNAHCRTR2
SCHEMBL844980 0.85 ALDH1A1 (0.45) PABPC1GAAALDH1A1KMT2APOLB
SCHEMBL845708 0.84 RHOC (0.46) PABPC1LMNATSHRALDH1A1CYP2C9
SCHEMBL845710 0.83 KMT2A (0.43) PABPC1KDM4EGAALMNARXFP1
SCHEMBL845007 0.81 PABPC1 (0.49) PABPC1KDM4EGAALMNAALDH1A1
SCHEMBL845131 0.81 PABPC1 (0.49) PABPC1KDM4EGAALMNAALDH1A1
SCHEMBL845935 0.81 PABPC1 (0.44) PABPC1KDM4EGAALMNAALDH1A1
SCHEMBL845285 0.81 GAA (0.48) PABPC1KDM4EGAALMNAALDH1A1

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 3 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
EP-1893573-B1 INHIBITORS OF HCV REPLICATION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed