SCHEMBL10995338

SCHEMBL10995338

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

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ FFAR2 O15552 14/20 0.44
▸ LMNA P02545 1/20 0.41

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
SCHEMBL10999352 0.89 ACE (0.52) ACEKMT2AFFAR2LMNA
SCHEMBL11191864 0.87 ACE (0.53) ACEFFAR2LMNA
SCHEMBL10995341 0.81 ACE (0.44) ACEFFAR2LMNA
SCHEMBL10944250 0.80 ACE (0.53) ACEFFAR2LMNA
SCHEMBL11110326 0.80 ACE (0.51) ACEKMT2AFFAR2LMNA
SCHEMBL10938815 0.79 ACE (0.71) ACEKMT2AFFAR2LMNA
SCHEMBL11066115 0.79 ACE (0.71) ACEKMT2AFFAR2LMNA
SCHEMBL10995336 0.78 FFAR2 (0.43) ACEFFAR2LMNA
SCHEMBL11195287 0.78 ACE (0.52) ACEKMT2AFFAR2LMNA
SCHEMBL11061437 0.76 KMT2A (0.58) ACEKMT2AFFAR2LMNA

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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