SCHEMBL11075099

SCHEMBL11075099

COc1ccccc1C1SC[C@@H](C(=O)O)N1C(=O)CC(C)S

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 12/20 0.54
▸ ACE P12821 2/20 0.52
▸ HTT P42858 1/20 0.48
▸ LMNA P02545 1/20 0.44

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
SCHEMBL11075090 0.83 FFAR2 (0.52) FFAR2ACEHTT
SCHEMBL11075093 0.81 ACE (0.54) FFAR2ACEHTTLMNA
SCHEMBL11110329 0.81 ACE (0.48) FFAR2ACEHTTLMNA
SCHEMBL10999357 0.81 ACE (0.49) FFAR2ACEHTTLMNA
SCHEMBL3825312 0.77 FFAR2 (0.52) FFAR2ACEHTT
SCHEMBL3825310 0.77 FFAR2 (0.52) FFAR2ACEHTT
SCHEMBL11102513 0.76 ACE (0.68) FFAR2ACEHTTLMNA
SCHEMBL10995341 0.75 ACE (0.44) FFAR2ACEHTTLMNA
SCHEMBL10968302 0.75 ACE (0.67) FFAR2ACEHTTLMNA
SCHEMBL11096479 0.73 ACE (0.64) FFAR2ACEHTTLMNA

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-4483861-A Antihypertensive sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-11-20 — — US claimed
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