SCHEMBL8941475

SCHEMBL8941475

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
PPARA Q07869 2/20 0.41
ATM Q13315 1/20 0.39
MAOB P27338 3/20 0.39
MIF P14174 1/20 0.35
APAF1 O14727 1/20 0.35
POLB P06746 1/20 0.35
GRK2 P25098 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
PTPN1 P18031 1/20 0.35
S1PR1 P21453 2/20 0.33
NPC1 O15118 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8941426 0.81 ALOX5 (0.54) PPARGPPARA
SCHEMBL8941431 0.77 PPARG (0.39) PPARGPPARAATMMIFAPAF1
SCHEMBL9265050 0.72 ATM (0.49) PPARGPPARAATMMAOBAPAF1
SCHEMBL8941404 0.72 ALOX5 (0.54) PPARGPPARA
SCHEMBL8941462 0.69 PPARG (0.44) PPARGPPARAATMMAOBAPAF1
SCHEMBL8941375 0.69 ALOX5 (0.46) PPARGPPARAATMAPAF1POLB
SCHEMBL8941319 0.68 PPARG (0.50) PPARGPPARAATMNPC1RAB9A
SCHEMBL8941419 0.67 ALOX5 (0.63) PPARGPPARALMNATSHR
SCHEMBL8941589 0.67 PPARG (0.49) PPARGPPARAATMNPC1RAB9A
SCHEMBL8941747 0.66 ALOX5 (0.53) PPARGPPARA

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