SCHEMBL31148

SCHEMBL31148

CS(=O)(=O)NCC1=CC(c2ccc(C(=O)c3cccc(O)c3)s2)=CCC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 20/20 0.47
HSD17B2 P37059 19/20 0.47

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
SCHEMBL30628 0.88 HSD17B2 (0.43) HSD17B1HSD17B2
SCHEMBL31108 0.77 HSD17B1 (0.50) HSD17B1HSD17B2
SCHEMBL31446 0.76 HSD17B1 (0.69) HSD17B1HSD17B2
SCHEMBL31459 0.68 HSD17B1 (0.77) HSD17B1HSD17B2
SCHEMBL31477 0.68 HSD17B1 (0.53) HSD17B1HSD17B2
SCHEMBL24752 0.66 HSD17B1 (1.00) HSD17B1HSD17B2
SCHEMBL22550 0.66 HSD17B1 (0.88) HSD17B1HSD17B2
SCHEMBL24263 0.66 HSD17B1 (1.00) HSD17B1HSD17B2
SCHEMBL22633 0.63 HSD17B1 (0.77) HSD17B1HSD17B2
SCHEMBL31107 0.63 HSD17B1 (0.53) 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