SCHEMBL11110323

SCHEMBL11110323

COc1cccc(C2SC[C@@H](C(=O)O)N2C(=O)[C@@H](CS)C(=O)c2ccccc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 14/20 0.47
▸ HTT P42858 1/20 0.47
▸ ACE P12821 2/20 0.46
▸ LMNA P02545 1/20 0.39

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
SCHEMBL11066109 0.85 ACE (0.63) FFAR2HTTACELMNA
SCHEMBL10938811 0.85 ACE (0.63) FFAR2HTTACELMNA
SCHEMBL11110329 0.84 ACE (0.48) FFAR2HTTACELMNA
SCHEMBL10995336 0.80 FFAR2 (0.43) FFAR2HTTACELMNA
SCHEMBL11061433 0.80 HSD17B10 (0.49) FFAR2ACELMNA
SCHEMBL11102513 0.80 ACE (0.68) FFAR2HTTACELMNA
SCHEMBL11075090 0.79 FFAR2 (0.52) FFAR2HTTACE
SCHEMBL11110326 0.77 ACE (0.51) FFAR2HTTACELMNA
SCHEMBL10999348 0.76 ACE (0.47) FFAR2HTTACELMNA
SCHEMBL11067693 0.76 ACE (0.41) FFAR2HTTACELMNA

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-4457935-A ANGIOTENSIN-CONVERTING ENZYME INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-07-03 — — US claimed
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