SCHEMBL8941431

SCHEMBL8941431

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.39
PPARA Q07869 3/20 0.39
ALOX5 P09917 1/20 0.35
APAF1 O14727 1/20 0.34
POLB P06746 1/20 0.34
GRK2 P25098 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
S1PR1 P21453 5/20 0.34
IDH1 O75874 1/20 0.34
MIF P14174 1/20 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
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MAPK10 P53779 1/20 0.33
ATM Q13315 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) PPARGPPARAALOX5
SCHEMBL8941475 0.77 PPARG (0.41) PPARGPPARAAPAF1POLBGRK2
SCHEMBL8941404 0.72 ALOX5 (0.54) PPARGPPARAALOX5
SCHEMBL9348140 0.70 ACACB (0.39) ALOX5
SCHEMBL8941375 0.70 ALOX5 (0.46) PPARGPPARAALOX5APAF1POLB
SCHEMBL8941763 0.70 PPARG (0.46) PPARGPPARAS1PR1MIFNPC1
SCHEMBL8941589 0.69 PPARG (0.49) PPARGPPARAALOX5NPC1RAB9A
SCHEMBL8941419 0.68 ALOX5 (0.63) PPARGPPARAALOX5LMNATSHR
SCHEMBL8941747 0.68 ALOX5 (0.53) PPARGPPARAALOX5
SCHEMBL8941462 0.67 PPARG (0.44) PPARGPPARAALOX5APAF1POLB

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