SCHEMBL8941430

SCHEMBL8941430

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.51
PPARG P37231 10/20 0.46
PPARA Q07869 8/20 0.46
EPHX2 P34913 1/20 0.40
PTPN1 P18031 2/20 0.38
FAAH O00519 1/20 0.36

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
SCHEMBL8941348 0.92 PPARG (0.48) ALOX5PPARGPPARAEPHX2
SCHEMBL8941364 0.88 PPARG (0.47) ALOX5PPARGPPARAPTPN1FAAH
SCHEMBL8941747 0.81 ALOX5 (0.53) ALOX5PPARGPPARAEPHX2
SCHEMBL8941351 0.80 PPARG (0.48) PPARGPPARA
SCHEMBL8610041 0.78 ALOX5 (0.51) ALOX5EPHX2
SCHEMBL8309228 0.78 ALOX5 (0.51) ALOX5EPHX2
SCHEMBL8309230 0.78 ALOX5 (0.51) ALOX5EPHX2
SCHEMBL8308216 0.74 ALOX5 (0.51) ALOX5EPHX2
SCHEMBL8308218 0.74 ALOX5 (0.51) ALOX5EPHX2
SCHEMBL8659861 0.73 MAPT (0.51) ALOX5EPHX2

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