SCHEMBL10966516

SCHEMBL10966516

C[C@@H](C(=O)O)N(C(=O)[C@@H]1CS[C@H](c2ccccc2O)N1C(=O)CCSC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.50
▸ KMT2A Q03164 2/20 0.43
▸ FFAR2 O15552 3/20 0.34
▸ HTT P42858 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL10966449 0.93 ACE (0.50) ACEKMT2AFFAR2HTTLMNA
SCHEMBL10968424 0.88 ACE (0.67) ACEFFAR2HTTLMNA
SCHEMBL11128548 0.87 ACE (0.47) ACEKMT2AFFAR2
SCHEMBL11066115 0.83 ACE (0.71) ACEKMT2AFFAR2HTTLMNA
SCHEMBL10938815 0.83 ACE (0.71) ACEKMT2AFFAR2HTTLMNA
SCHEMBL10967167 0.81 ACE (0.41) ACEKMT2AFFAR2
SCHEMBL10941485 0.80 ACE (0.57) ACEKMT2AFFAR2HTTLMNA
SCHEMBL10966510 0.79 ACE (0.49) ACEKMT2ALMNA
SCHEMBL10968295 0.76 ACE (0.71) ACEKMT2AFFAR2HTTLMNA
SCHEMBL10971131 0.75 ACE (0.48) ACEKMT2AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4425333-A HYPOTENSIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-01-10 — — US claimed
EP-0048763-B1 SULFUR-CONTAINING ACYLAMINO ACIDS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-11-06 — — EP disclosed
US-4425333-A HYPOTENSIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-01-10 — — US disclosed
EP-0048763-A1 SULFUR-CONTAINING ACYLAMINO ACIDS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-04-07 — — EP disclosed
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