SCHEMBL9425902

SCHEMBL9425902

CC(C)(C)C(=O)N[C@@H](CSCc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.64
PPARA Q07869 6/20 0.63
PPARG P37231 4/20 0.63
PPARD Q03181 2/20 0.57

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
SCHEMBL9165661 0.87 ACE (0.60) ACEPPARAPPARGPPARD
SCHEMBL11516592 0.87 ACE (0.60) ACEPPARAPPARGPPARD
SCHEMBL9171784 0.87 ACE (0.60) ACEPPARAPPARGPPARD
SCHEMBL8313689 0.87 ACE (0.59) ACEPPARAPPARGPPARD
SCHEMBL11516645 0.85 ACE (0.60) ACEPPARAPPARGPPARD
SCHEMBL7282451 0.85 ACE (0.67) ACEPPARAPPARGPPARD
SCHEMBL7283024 0.85 ACE (0.67) ACEPPARAPPARGPPARD
SCHEMBL2778639 0.85 ACE (0.67) ACEPPARAPPARGPPARD
SCHEMBL11516587 0.83 ACE (0.61) ACEPPARAPPARGPPARD
SCHEMBL10655002 0.82 PPARA (0.70) ACEPPARAPPARGPPARD

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-5340809-A Antihypoxic, antiischemic agents ADIR ET COMPAGNIE (FR) 1994-08-23 US disclosed