SCHEMBL9426451

SCHEMBL9426451

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.60
ACE P12821 2/20 0.56
NOD1 Q9Y239 1/20 0.56
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
EPHX2 P34913 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.50
ASAH1 Q13510 1/20 0.50
ACER2 Q5QJU3 1/20 0.50
PSMB5 P28074 1/20 0.50

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
SCHEMBL9159222 1.00 FAAH (0.60) FAAHACENOD1PPARGPPARA
SCHEMBL11571674 0.90 ACE (0.61) ACEPPARGPPARA
SCHEMBL11573687 0.84 ACE (0.64) ACEPPARGPPARA
SCHEMBL9666114 0.83 FAAH (0.81) FAAHNOD1EPHX2PSMB5
SCHEMBL22494097 0.83 FAAH (0.81) FAAHNOD1EPHX2PSMB5
SCHEMBL22494095 0.83 FAAH (0.81) FAAHNOD1EPHX2PSMB5
SCHEMBL21998924 0.83 FAAH (0.81) FAAHNOD1EPHX2PSMB5
SCHEMBL22494096 0.83 FAAH (0.81) FAAHNOD1EPHX2PSMB5
SCHEMBL1815011 0.83 FAAH (0.81) FAAHNOD1EPHX2PSMB5
SCHEMBL9506671 0.83 FAAH (0.81) FAAHNOD1EPHX2PSMB5

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