SCHEMBL8941411

SCHEMBL8941411

CC(C#Cc1cc(C2=NOC(c3ccc(F)cc3)C2)ccc1F)N(O)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
PPARA Q07869 2/20 0.43
ALOX5 P09917 12/20 0.41
EPHX2 P34913 4/20 0.41
APAF1 O14727 1/20 0.36
POLB P06746 1/20 0.36
GRK2 P25098 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
S1PR1 P21453 2/20 0.36
NPC1 O15118 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8941375 0.87 ALOX5 (0.46) PPARGPPARAALOX5EPHX2APAF1
SCHEMBL8941404 0.86 ALOX5 (0.54) PPARGPPARAALOX5EPHX2
SCHEMBL8941426 0.82 ALOX5 (0.54) PPARGPPARAALOX5EPHX2
SCHEMBL8941580 0.79 ALOX5 (0.46) ALOX5EPHX2
SCHEMBL8941581 0.79 PPARG (0.49) PPARGPPARAALOX5EPHX2
SCHEMBL8941747 0.77 ALOX5 (0.53) PPARGPPARAALOX5EPHX2
SCHEMBL8941589 0.74 PPARG (0.49) PPARGPPARAALOX5EPHX2NPC1
SCHEMBL8941462 0.73 PPARG (0.44) PPARGPPARAALOX5APAF1POLB
SCHEMBL8941419 0.70 ALOX5 (0.63) PPARGPPARAALOX5EPHX2
SCHEMBL8941348 0.69 PPARG (0.48) PPARGPPARAALOX5EPHX2APAF1

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