SCHEMBL8941426

SCHEMBL8941426

CC(C#Cc1cccc(C2CC(c3ccc(F)cc3)=NO2)c1)N(O)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.54
EPHX2 P34913 11/20 0.48
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL8941404 0.91 ALOX5 (0.54) ALOX5EPHX2PPARGPPARA
SCHEMBL8941375 0.89 ALOX5 (0.46) ALOX5EPHX2PPARGPPARA
SCHEMBL8941747 0.86 ALOX5 (0.53) ALOX5EPHX2PPARGPPARA
SCHEMBL8941419 0.84 ALOX5 (0.63) ALOX5EPHX2PPARGPPARA
SCHEMBL8941462 0.82 PPARG (0.44) ALOX5PPARGPPARA
SCHEMBL8941581 0.82 PPARG (0.49) ALOX5EPHX2PPARGPPARA
SCHEMBL8941411 0.82 PPARG (0.43) ALOX5EPHX2PPARGPPARA
SCHEMBL8941475 0.81 PPARG (0.41) PPARGPPARA
SCHEMBL8941431 0.81 PPARG (0.39) ALOX5PPARGPPARA
SCHEMBL8941580 0.81 ALOX5 (0.46) 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