SCHEMBL31404

SCHEMBL31404

COC1=CC(c2ccc(C(=O)c3cccc(O)c3)s2)=CC(OC)C1OC

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 20/20 0.53
HSD17B2 P37059 20/20 0.53

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
SCHEMBL31477 0.81 HSD17B1 (0.53) HSD17B1HSD17B2
SCHEMBL45839 0.75 HSD17B1 (0.50) HSD17B1HSD17B2
SCHEMBL30843 0.73 HSD17B2 (0.75) HSD17B1HSD17B2
SCHEMBL23457 0.71 HSD17B1 (0.70) HSD17B1HSD17B2
SCHEMBL24451 0.71 HSD17B1 (0.80) HSD17B1HSD17B2
SCHEMBL23522 0.71 HSD17B1 (0.84) HSD17B1HSD17B2
SCHEMBL12474107 0.71 HSD17B1 (0.77) HSD17B1HSD17B2
SCHEMBL21915 0.70 HSD17B1 (1.00) HSD17B1HSD17B2
SCHEMBL24752 0.70 HSD17B1 (1.00) HSD17B1HSD17B2
SCHEMBL24263 0.70 HSD17B1 (1.00) HSD17B1HSD17B2

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
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed