SCHEMBL3807205

SCHEMBL3807205

Cc1csc(C(=O)N(C)c2cc(-c3ccccc3)sc2OC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 11/20 0.45
▸ HSD17B2 P37059 11/20 0.45
▸ DAO P14920 1/20 0.38

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
SCHEMBL3807201 0.84 HSD17B1 (0.46) HSD17B1HSD17B2DAO
SCHEMBL3807581 0.84 HSD17B1 (0.41) HSD17B1HSD17B2
SCHEMBL3816560 0.82 HSD17B1 (0.44) HSD17B1HSD17B2
SCHEMBL3817235 0.80 HSD17B1 (0.45) HSD17B1HSD17B2
SCHEMBL3817332 0.80 BCL2L1 (0.45) HSD17B1HSD17B2
SCHEMBL3807569 0.80 HSD17B1 (0.45) HSD17B1HSD17B2
SCHEMBL3809473 0.77 HSD17B1 (0.49) HSD17B1HSD17B2
SCHEMBL3811152 0.77 HSD17B1 (0.38) HSD17B1HSD17B2
SCHEMBL3811062 0.77 HSD17B1 (0.43) HSD17B1HSD17B2
SCHEMBL3815618 0.77 HSD17B1 (0.47) 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
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP claimed
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