SCHEMBL845486

SCHEMBL845486

COCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
PABPC1 P11940 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
EP300 Q09472 1/20 0.41
CREBBP Q92793 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
SCHEMBL845304 0.90 MAPK1 (0.52) MAPK1L3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL13272192 0.90 MAPK1 (0.52) MAPK1L3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL845235 0.90 MAPK1 (0.52) MAPK1L3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL13272186 0.88 MAPK1 (0.51) MAPK1L3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL845288 0.88 MAPK1 (0.51) MAPK1L3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL845206 0.88 CYP2C9 (0.52) MAPK1ALDH1A1HTTCYP2C9CYP2C19
SCHEMBL844967 0.88 MAPK1 (0.50) MAPK1L3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL844977 0.88 MAPK1 (0.50) MAPK1L3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL13272504 0.81 VHL (0.44) MAPK1ALDH1A1HTTCYP2C9CYP2C19
SCHEMBL844966 0.81 VHL (0.44) MAPK1ALDH1A1HTTCYP2C9CYP2C19

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
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed