SCHEMBL13680794

SCHEMBL13680794

NC(=O)c1ccc(-c2cccc(CCC=O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.53
ERN1 O75460 2/20 0.47
BCL2 P10415 1/20 0.47
GPR52 Q9Y2T5 2/20 0.45
ABHD6 Q9BV23 1/20 0.45
MKNK1 Q9BUB5 3/20 0.44
MKNK2 Q9HBH9 3/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ERCC5 P28715 2/20 0.43
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
FEN1 P39748 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
DHODH Q02127 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
SCHEMBL13681324 0.87 BCL2 (0.63) AOC3ERN1BCL2GPR52TRIM24
SCHEMBL13680788 0.85 MAPT (0.50) AOC3BCL2GPR52TRIM24TRIM33
SCHEMBL1789918 0.83 AOC3 (0.60) AOC3BCL2ABHD6MKNK1MKNK2
SCHEMBL13680800 0.82 KIF11 (0.52) AOC3GPR52PDE4D
SCHEMBL13680789 0.82 ERN1 (0.50) ERN1BCL2
SCHEMBL13680801 0.82 ERN1 (0.50) AOC3ERN1BCL2GPR52
SCHEMBL13680795 0.82 BCL2 (0.47) AOC3BCL2GPR52MKNK1MKNK2
SCHEMBL13680792 0.82 MEN1 (0.42) AOC3BCL2GPR52ABHD6
SCHEMBL8413593 0.81 TAAR1 (0.44) BCL2GPR52
SCHEMBL418611 0.81 GPR52 (0.50) AOC3BCL2GPR52

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed