SCHEMBL11110326

SCHEMBL11110326

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

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.51
▸ KMT2A Q03164 1/20 0.50
▸ FFAR2 O15552 12/20 0.48
▸ HTT P42858 1/20 0.47
▸ LMNA P02545 1/20 0.40

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
SCHEMBL11267042 0.89 ACE (0.53) ACEFFAR2HTTLMNA
SCHEMBL11102513 0.84 ACE (0.68) ACEFFAR2HTTLMNA
SCHEMBL11066115 0.84 ACE (0.71) ACEKMT2AFFAR2HTTLMNA
SCHEMBL10938815 0.84 ACE (0.71) ACEKMT2AFFAR2HTTLMNA
SCHEMBL11075093 0.81 ACE (0.54) ACEFFAR2HTTLMNA
SCHEMBL11110329 0.81 ACE (0.48) ACEFFAR2HTTLMNA
SCHEMBL10995338 0.80 ACE (0.47) ACEKMT2AFFAR2LMNA
SCHEMBL11061437 0.80 KMT2A (0.58) ACEKMT2AFFAR2LMNA
SCHEMBL11110323 0.77 FFAR2 (0.47) ACEFFAR2HTTLMNA
SCHEMBL11266045 0.77 ACE (0.41) ACEFFAR2HTTLMNA

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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