SCHEMBL8941436

SCHEMBL8941436

CNC(=O)N(O)C(C)C#Cc1cccc(C2=NOC(c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.47
PPARA Q07869 8/20 0.47
ALOX5 P09917 4/20 0.37
EPHX2 P34913 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MAOB P27338 3/20 0.34
S1PR1 P21453 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
SCHEMBL8941581 0.90 PPARG (0.49) PPARGPPARAALOX5EPHX2
SCHEMBL8941589 0.82 PPARG (0.49) PPARGPPARAALOX5EPHX2
SCHEMBL8941747 0.81 ALOX5 (0.53) PPARGPPARAALOX5EPHX2
SCHEMBL8941404 0.81 ALOX5 (0.54) PPARGPPARAALOX5EPHX2
SCHEMBL8941364 0.75 PPARG (0.47) PPARGPPARAALOX5CA1CA2
SCHEMBL8941351 0.75 PPARG (0.48) PPARGPPARA
SCHEMBL8941419 0.74 ALOX5 (0.63) PPARGPPARAALOX5EPHX2
SCHEMBL9047354 0.72 ALOX5 (0.43) ALOX5EPHX2
SCHEMBL8941426 0.72 ALOX5 (0.54) PPARGPPARAALOX5EPHX2
SCHEMBL8941375 0.69 ALOX5 (0.46) PPARGPPARAALOX5EPHX2

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