SCHEMBL845812

SCHEMBL845812

C=C1CC(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)C4CC(=O)N(CCc5cccs5)C4)cc3)cc2)CN1CCc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RXFP3 Q9NSD7 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL845545 0.95 L3MBTL1 (0.45) L3MBTL1MAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL845806 0.91 L3MBTL1 (0.46) L3MBTL1MAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL845527 0.88 L3MBTL1 (0.51) L3MBTL1MAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL844889 0.82 RXFP3 (0.51) L3MBTL1SMN1; SMN2ALDH1A1HTTPOLB
SCHEMBL13272274 0.80 L3MBTL1 (0.43) L3MBTL1MAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL18887503 0.78 L3MBTL1 (0.45) L3MBTL1MAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL2195141 0.74 RXFP3 (0.48) L3MBTL1MAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL14647991 0.73 RXFP3 (0.47) L3MBTL1MAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL844852 0.73 L3MBTL1 (0.63) L3MBTL1MAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL13272192 0.72 MAPK1 (0.52) L3MBTL1MAPK1SMN1; 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 1 patent. 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