SCHEMBL845092

SCHEMBL845092

CCCOc1ccccc1C(=O)N1C[C@@H](N(C)C)C[C@H]1C(=O)Nc1ccc(CCc2ccc(NC(=O)[C@@H]3C[C@H](N(C)C)CN3C(=O)c3ccccc3OCCC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.39
CFTR P13569 15/20 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
SCHEMBL874517 0.92 THRB (0.36) TP53THRBCFTR
SCHEMBL873764 0.91 TP53 (0.35) TP53THRBCFTR
SCHEMBL845096 0.90 TP53 (0.40) TP53THRB
SCHEMBL873619 0.82 TP53 (0.34) TP53THRB
SCHEMBL845370 0.75 PIK3CA (0.37) THRB
SCHEMBL845518 0.72 GAA (0.52) TP53
SCHEMBL23260558 0.64 CYP2C9 (0.43) THRB
SCHEMBL845312 0.64 GAA (0.60)
SCHEMBL17502615 0.62 NPSR1 (0.60) TP53
SCHEMBL23261111 0.62 LMNA (0.45) CFTR

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