SCHEMBL844977

SCHEMBL844977

CC(C)C(=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 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.44
KCNH2 Q12809 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39

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) MAPK1L3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL13272192 0.90 MAPK1 (0.52) MAPK1L3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL845235 0.90 MAPK1 (0.52) MAPK1L3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL13272186 0.88 MAPK1 (0.51) MAPK1L3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL845288 0.88 MAPK1 (0.51) MAPK1L3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL845486 0.88 MAPK1 (0.50) MAPK1L3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL844967 0.88 MAPK1 (0.50) MAPK1L3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL844890 0.84 KCNH2 (0.51) MAPK1ALDH1A1HTTKCNH2CYP2C19
SCHEMBL845607 0.80 VHL (0.43) ALDH1A1KCNH2CYP2C19CYP2C9POLB
SCHEMBL2196617 0.78 ALDH1A1 (0.54) MAPK1L3MBTL1SMN1; SMN2ALDH1A1HTT

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