SCHEMBL8941419

SCHEMBL8941419

CC(C#Cc1cccc(C2CC(c3cccc(Oc4ccccc4)c3)=NO2)c1)N(O)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.63
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
PPARG P37231 5/20 0.42
PPARA Q07869 3/20 0.42
EPHX2 P34913 7/20 0.41
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 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
SCHEMBL8941747 0.90 ALOX5 (0.53) ALOX5PPARGPPARAEPHX2
SCHEMBL8941426 0.84 ALOX5 (0.54) ALOX5PPARGPPARAEPHX2
SCHEMBL8941404 0.82 ALOX5 (0.54) ALOX5PPARGPPARAEPHX2
SCHEMBL8941581 0.82 PPARG (0.49) ALOX5PPARGPPARAEPHX2
SCHEMBL9046388 0.79 ALOX5 (1.00) ALOX5ACACBACACAEPHX2
SCHEMBL8941751 0.77 ALOX5 (0.53) ALOX5LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8941436 0.74 PPARG (0.47) ALOX5PPARGPPARAEPHX2
SCHEMBL4730488 0.73 ALOX5 (0.54) ALOX5EPHX2
SCHEMBL9047950 0.73 ALOX5 (0.83) ALOX5ACACBACACAEPHX2LMNA
SCHEMBL8941375 0.73 ALOX5 (0.46) ALOX5PPARGPPARAEPHX2

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