SCHEMBL13680801

SCHEMBL13680801

CN(C)C(=O)c1ccc(-c2cccc(CCC=O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.50
HSD17B2 P37059 5/20 0.49
HSD17B1 P14061 3/20 0.49
BCL2 P10415 1/20 0.47
AOC3 Q16853 6/20 0.46
ATR Q13535 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
GPR52 Q9Y2T5 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
SCHEMBL13680788 0.85 MAPT (0.50) HSD17B2HSD17B1BCL2AOC3LMNA
SCHEMBL13681324 0.83 BCL2 (0.63) ERN1BCL2AOC3GPR52
SCHEMBL13680794 0.82 AOC3 (0.53) ERN1BCL2AOC3GPR52
SCHEMBL13060851 0.81 BCL2 (0.69) ERN1HSD17B2HSD17B1BCL2AOC3
SCHEMBL13680795 0.81 BCL2 (0.47) BCL2AOC3ALDH1A1LMNAMAPK1
SCHEMBL13680789 0.81 ERN1 (0.50) ERN1BCL2ALDH1A1
SCHEMBL13680807 0.81 AOC3 (0.61) AOC3
SCHEMBL13680799 0.81 ACHE (0.52) ALDH1A1LMNA
SCHEMBL13680790 0.78 FFAR1 (0.45) BCL2GPR52
SCHEMBL13005476 0.78 HSD17B2 (0.51) ERN1HSD17B2HSD17B1BCL2AOC3

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