SCHEMBL13680806

SCHEMBL13680806

COC(=O)c1ccc(-c2cccc(CCC=O)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.50
CYP4A11 Q02928 4/20 0.50
HIF1A Q16665 3/20 0.45
MAPK1 P28482 1/20 0.43
DYRK1A Q13627 1/20 0.39
CDK8 P49336 2/20 0.38
ERN1 O75460 1/20 0.38
FAAH O00519 1/20 0.37

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
SCHEMBL13680811 0.85 HIF1A (0.48) CYP4F2CYP4A11HIF1A
SCHEMBL13680789 0.81 ERN1 (0.50) CYP4F2CYP4A11ERN1
SCHEMBL31747478 0.81 MAPK1 (0.53) CYP4A11HIF1AMAPK1DYRK1A
SCHEMBL13680810 0.80 HSD17B1 (0.53) ERN1
SCHEMBL13680851 0.79 MAPK1 (0.43) MAPK1DYRK1AFAAH
SCHEMBL13680808 0.78 EPHX2 (0.38) CYP4F2CYP4A11HIF1ACDK8
SCHEMBL13680499 0.77 MAPK1 (0.51) CYP4F2CYP4A11MAPK1DYRK1ACDK8
SCHEMBL23380565 0.76 MAPT (0.51) CYP4F2CYP4A11MAPK1DYRK1ACDK8
SCHEMBL13680797 0.76 CYP11B2 (0.38) CYP4F2CYP4A11HIF1ACDK8
SCHEMBL11041168 0.74 MAPK1 (0.59) HIF1AMAPK1DYRK1A

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