SCHEMBL9301567

SCHEMBL9301567

COC(=O)[C@H](CSCc1ccc(OC)cc1)NC(=O)C(C)(C)SCc1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.52
PPARG P37231 3/20 0.52
PPARA Q07869 3/20 0.52
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CACNA1B Q00975 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
KIF11 P52732 1/20 0.40
PPARD Q03181 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
SCHEMBL9301035 0.91 ACE (0.64) ACEPPARGPPARAPPARD
SCHEMBL9302390 0.89 ACE (0.51) ACEPPARGPPARAGAAALDH1A1
SCHEMBL1277840 0.82 PPARG (0.74) ACEPPARGPPARAALDH1A1CACNA1B
SCHEMBL3031211 0.82 PPARG (0.74) ACEPPARGPPARAALDH1A1CACNA1B
SCHEMBL1277844 0.82 PPARG (0.74) ACEPPARGPPARAALDH1A1CACNA1B
SCHEMBL1634040 0.81 ACE (0.56) ACEPPARGPPARAGAAALDH1A1
SCHEMBL2909471 0.78 PPARA (0.53) ACEPPARGPPARAGAACACNA1B
SCHEMBL9727304 0.76 PPARG (0.72) ACEPPARGPPARAALDH1A1CACNA1B
SCHEMBL11516592 0.76 ACE (0.60) ACEPPARGPPARAPPARD
SCHEMBL27360388 0.75 HTT (0.47) GAAALDH1A1SMN1; SMN2PKM

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