SCHEMBL8941747

SCHEMBL8941747

CC(C#Cc1cccc(C2=NOC(c3ccccc3)C2)c1)N(O)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.53
PPARG P37231 7/20 0.47
PPARA Q07869 5/20 0.47
EPHX2 P34913 9/20 0.45

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
SCHEMBL8941581 0.92 PPARG (0.49) ALOX5PPARGPPARAEPHX2
SCHEMBL8941404 0.92 ALOX5 (0.54) ALOX5PPARGPPARAEPHX2
SCHEMBL8941419 0.90 ALOX5 (0.63) ALOX5PPARGPPARAEPHX2
SCHEMBL8941426 0.86 ALOX5 (0.54) ALOX5PPARGPPARAEPHX2
SCHEMBL4730488 0.83 ALOX5 (0.54) ALOX5EPHX2
SCHEMBL8941436 0.81 PPARG (0.47) ALOX5PPARGPPARAEPHX2
SCHEMBL8941430 0.81 ALOX5 (0.51) ALOX5PPARGPPARAEPHX2
SCHEMBL8941375 0.80 ALOX5 (0.46) ALOX5PPARGPPARAEPHX2
SCHEMBL8609779 0.79 ALOX5 (0.53) ALOX5EPHX2
SCHEMBL8941589 0.79 PPARG (0.49) ALOX5PPARGPPARAEPHX2

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-5552424-A Isoxazolines as antiinflammatory agents PFIZER INC. (US) 1996-09-03 US disclosed