SCHEMBL10968295

SCHEMBL10968295

CC(=O)SCCC(=O)N1[C@@H](c2ccccc2O)SC[C@H]1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.71
▸ KMT2A Q03164 1/20 0.44
▸ FFAR2 O15552 10/20 0.44
▸ LMNA P02545 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 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
SCHEMBL10938815 0.89 ACE (0.71) ACEKMT2AFFAR2LMNAALDH1A1
SCHEMBL11066115 0.89 ACE (0.71) ACEKMT2AFFAR2LMNAALDH1A1
SCHEMBL29888703 0.89 ACE (0.73) ACEKMT2AFFAR2LMNAALDH1A1
SCHEMBL10979196 0.89 ACE (0.77) ACEKMT2AFFAR2LMNAALDH1A1
SCHEMBL10969779 0.89 ACE (0.77) ACEKMT2AFFAR2LMNAALDH1A1
SCHEMBL11185062 0.89 ACE (0.77) ACEKMT2AFFAR2LMNAALDH1A1
SCHEMBL11096475 0.89 ACE (0.67) ACEKMT2AFFAR2LMNAALDH1A1
SCHEMBL10970883 0.88 ACE (0.56) ACEKMT2AFFAR2
SCHEMBL10968013 0.87 ACE (0.54) ACEKMT2AFFAR2LMNAALDH1A1
SCHEMBL11195371 0.87 ACE (0.73) ACEKMT2AFFAR2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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