SCHEMBL9301035

SCHEMBL9301035

COc1ccc(CSC[C@H](NC(=O)C(C)(C)SCc2ccc(OC)cc2)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.64
PPARG P37231 7/20 0.63
PPARA Q07869 7/20 0.63
PPARD Q03181 2/20 0.49

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
SCHEMBL9301567 0.91 ACE (0.52) ACEPPARGPPARAPPARD
SCHEMBL9302390 0.89 ACE (0.51) ACEPPARGPPARAPPARD
SCHEMBL11516592 0.86 ACE (0.60) ACEPPARGPPARAPPARD
SCHEMBL4566374 0.84 ACE (0.70) ACEPPARGPPARAPPARD
SCHEMBL4566373 0.84 ACE (0.70) ACEPPARGPPARAPPARD
SCHEMBL1278179 0.82 PPARA (0.89) ACEPPARGPPARAPPARD
SCHEMBL11331399 0.82 PPARA (0.89) ACEPPARGPPARAPPARD
SCHEMBL1278177 0.82 PPARA (0.89) ACEPPARGPPARAPPARD
SCHEMBL1632958 0.81 ACE (0.66) ACEPPARGPPARAPPARD
SCHEMBL28344059 0.80 ACE (0.68) ACEPPARGPPARAPPARD

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-5292926-A Cysteine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1994-03-08 US disclosed
EP-0326326-A1 Cysteine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1989-08-02 EP disclosed