SCHEMBL8941589

SCHEMBL8941589

CCNC(=O)N(O)C(C)C#Cc1cccc(C2=NOC(c3ccc(F)cc3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.49
PPARA Q07869 8/20 0.49
ALOX5 P09917 7/20 0.42
EPHX2 P34913 6/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.38

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 0.87 ALOX5 (0.54) PPARGPPARAALOX5EPHX2
SCHEMBL8941436 0.82 PPARG (0.47) PPARGPPARAALOX5EPHX2
SCHEMBL8941747 0.79 ALOX5 (0.53) PPARGPPARAALOX5EPHX2
SCHEMBL8941426 0.79 ALOX5 (0.54) PPARGPPARAALOX5EPHX2
SCHEMBL8941581 0.79 PPARG (0.49) PPARGPPARAALOX5EPHX2
SCHEMBL8941351 0.78 PPARG (0.48) PPARGPPARANPC1RAB9ATSHR
SCHEMBL8941375 0.76 ALOX5 (0.46) PPARGPPARAALOX5EPHX2NPC1
SCHEMBL8941348 0.75 PPARG (0.48) PPARGPPARAALOX5EPHX2NPC1
SCHEMBL8941319 0.74 PPARG (0.50) PPARGPPARANPC1RAB9ATSHR
SCHEMBL8941411 0.74 PPARG (0.43) PPARGPPARAALOX5EPHX2NPC1

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