SCHEMBL8941348

SCHEMBL8941348

NC(=O)N(O)CC#Cc1cccc(C2=NOC(c3ccc(F)cc3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.48
PPARA Q07869 8/20 0.48
ALOX5 P09917 4/20 0.44
EPHX2 P34913 1/20 0.38
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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

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
SCHEMBL8941430 0.92 ALOX5 (0.51) PPARGPPARAALOX5EPHX2
SCHEMBL8941351 0.88 PPARG (0.48) PPARGPPARATSHRNPC1RAB9A
SCHEMBL8941319 0.83 PPARG (0.50) PPARGPPARATSHRNPC1RAB9A
SCHEMBL8941404 0.82 ALOX5 (0.54) PPARGPPARAALOX5EPHX2
SCHEMBL4729578 0.80 ALOX5 (0.44) ALOX5EPHX2NPC1RAB9ALMNA
SCHEMBL8941364 0.80 PPARG (0.47) PPARGPPARAALOX5TSHRNPC1
SCHEMBL5086216 0.80 ALOX5 (0.44) ALOX5EPHX2NPC1RAB9ALMNA
SCHEMBL8941453 0.78 PPARG (0.48) PPARGPPARAALOX5TSHRNPC1
SCHEMBL8941743 0.78 PPARG (0.48) PPARGPPARAALOX5TSHRNPC1
SCHEMBL8941448 0.78 PPARG (0.48) PPARGPPARAALOX5TSHRNPC1

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