SCHEMBL22549

SCHEMBL22549

COc1ccc(COc2cccc(-c3ccc(C(=O)c4cccc(O)c4)s3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 20/20 0.70
HSD17B1 P14061 19/20 0.70

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
SCHEMBL23202 0.92 HSD17B2 (0.70) HSD17B2HSD17B1
SCHEMBL23010 0.92 HSD17B1 (0.70) HSD17B2HSD17B1
SCHEMBL22915 0.89 HSD17B1 (0.72) HSD17B2HSD17B1
SCHEMBL21807 0.89 HSD17B1 (0.68) HSD17B2HSD17B1
SCHEMBL24451 0.88 HSD17B1 (0.80) HSD17B2HSD17B1
SCHEMBL30843 0.86 HSD17B2 (0.75) HSD17B2HSD17B1
SCHEMBL22914 0.85 HSD17B1 (0.78) HSD17B2HSD17B1
SCHEMBL22855 0.84 HSD17B1 (0.67) HSD17B2HSD17B1
SCHEMBL23148 0.84 HSD17B1 (0.67) HSD17B2HSD17B1
SCHEMBL23779 0.81 HSD17B2 (0.67) HSD17B2HSD17B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP claimed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO claimed
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed