SCHEMBL10995341

SCHEMBL10995341

CC(=O)Oc1ccccc1C1SC[C@@H](C(=O)O)N1C(=O)CC(S)C(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.44
▸ FFAR2 O15552 15/20 0.43
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 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
SCHEMBL10999357 0.88 ACE (0.49) ACEFFAR2LMNAHTT
SCHEMBL10995336 0.84 FFAR2 (0.43) ACEFFAR2LMNAHTT
SCHEMBL10995338 0.81 ACE (0.47) ACEFFAR2LMNA
SCHEMBL11110329 0.80 ACE (0.48) ACEFFAR2LMNAHTT
SCHEMBL10938818 0.79 ACE (0.66) ACEFFAR2LMNAHTT
SCHEMBL11066121 0.79 ACE (0.66) ACEFFAR2LMNAHTT
SCHEMBL11061441 0.77 HSD17B10 (0.49) ACEFFAR2LMNA
SCHEMBL11191864 0.77 ACE (0.53) ACEFFAR2LMNAHTT
SCHEMBL10944250 0.76 ACE (0.53) ACEFFAR2LMNAHTT
SCHEMBL11075099 0.75 FFAR2 (0.54) ACEFFAR2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4496578-A Antihypertensive sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-01-29 — — US disclosed
US-4483861-A Antihypertensive sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-11-20 — — US disclosed
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