SCHEMBL4801286

SCHEMBL4801286

CC(=O)N1Cc2cc(-c3ccccc3NS(C)(=O)=O)ccc2CCc2cc(Cl)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 20/20 1.00

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
SCHEMBL4801400 0.96 HSD17B3 (0.93) HSD17B3
SCHEMBL4800392 0.89 HSD17B3 (0.80) HSD17B3
SCHEMBL4801965 0.87 HSD17B3 (0.77) HSD17B3
SCHEMBL4799597 0.85 HSD17B3 (0.74) HSD17B3
SCHEMBL4797955 0.84 HSD17B3 (1.00) HSD17B3
SCHEMBL4798035 0.83 HSD17B3 (0.71) HSD17B3
SCHEMBL4798993 0.82 HSD17B3 (1.00) HSD17B3
SCHEMBL4798041 0.81 HSD17B3 (0.76) HSD17B3
SCHEMBL4799239 0.81 HSD17B3 (0.86) HSD17B3
SCHEMBL4800947 0.80 HSD17B3 (0.92) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed