SCHEMBL13680807

SCHEMBL13680807

CN(C)C(=O)Nc1ccc(-c2cccc(CCC=O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.61
PNPLA2 Q96AD5 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
TSHR P16473 1/20 0.42

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
SCHEMBL13680796 0.86 AOC3 (0.56) AOC3
SCHEMBL13680803 0.84 CNR1 (0.44) AOC3
SCHEMBL13680802 0.84 MGLL (0.45) AOC3
SCHEMBL13680800 0.83 KIF11 (0.52) AOC3
SCHEMBL13680801 0.81 ERN1 (0.50) AOC3
SCHEMBL13680799 0.78 ACHE (0.52) TSHR
SCHEMBL13680788 0.76 MAPT (0.50) AOC3
SCHEMBL13680841 0.76 TSHR (0.40) AOC3PNPLA2HDAC6TSHR
SCHEMBL11359367 0.76 AOC3 (1.00) AOC3
SCHEMBL13680447 0.76 PNPLA2 (0.62) AOC3PNPLA2HDAC6TSHR

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