SCHEMBL4054710

SCHEMBL4054710

CC(=O)N1Cc2cc(-c3ccccc3CCO)ccc2/C=C\c2cc(Cl)ccc21

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 20/20 0.61

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
SCHEMBL4054715 1.00 HSD17B3 (0.61) HSD17B3
SCHEMBL4047899 0.92 HSD17B3 (0.70) HSD17B3
SCHEMBL4047894 0.92 HSD17B3 (0.70) HSD17B3
SCHEMBL4046414 0.87 HSD17B3 (0.60) HSD17B3
SCHEMBL4046406 0.87 HSD17B3 (0.60) HSD17B3
SCHEMBL4055997 0.87 HSD17B3 (0.60) HSD17B3
SCHEMBL4056001 0.87 HSD17B3 (0.60) HSD17B3
SCHEMBL4800262 0.85 HSD17B3 (0.67) HSD17B3
SCHEMBL4800268 0.85 HSD17B3 (0.67) HSD17B3
SCHEMBL6025559 0.84 HSD17B3 (0.55) HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720613-A4 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 BRISTOL MYERS SQUIBB CO (US) 2009-05-06 EP disclosed
EP-1720613-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 Bristol-Myers Squibb Company (US) 2006-11-15 EP disclosed
WO-2005084296-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-15 WO disclosed