SCHEMBL3814650

SCHEMBL3814650

Cc1cc(S(=O)(=O)N(C)c2cc(-c3ccccc3)sc2OC(=O)O)c(C)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 3/20 0.39
▸ S1PR1 P21453 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36

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
SCHEMBL2158554 0.85 — —
SCHEMBL3814674 0.85 GAA (0.40) LMNAHSD17B1HSD17B2
SCHEMBL13270767 0.83 LMNA (0.39) ACLYS1PR1LMNAHSD17B1HSD17B2
SCHEMBL3807904 0.79 HSD17B1 (0.48) S1PR1LMNAHSD17B1HSD17B2
SCHEMBL3814771 0.78 RAB9A (0.33) S1PR1LMNA
SCHEMBL3809008 0.74 ALDH1A1 (0.37) LMNA
SCHEMBL3809712 0.72 POLB (0.50) ACLYHSD17B1HSD17B2
SCHEMBL3809786 0.72 ACLY (0.47) ACLYS1PR1LMNAHSD17B1HSD17B2
SCHEMBL3817235 0.71 HSD17B1 (0.45) HSD17B1HSD17B2
SCHEMBL4764323 0.70 CA12 (0.40) LMNAHSD17B1HSD17B2

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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