SCHEMBL8994990

SCHEMBL8994990

O=C(O)Cc1onc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.68
PTGS1 P23219 2/20 0.68
PDE3A Q14432 1/20 0.68
PTGDR2 Q9Y5Y4 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6168496 0.86 PTGS2 (0.69) PTGS2PTGS1PDE3A
SCHEMBL14345230 0.82 PTGS2 (0.65) PTGS2PTGS1PDE3A
SCHEMBL14345129 0.82 PTGS2 (0.65) PTGS2PTGS1PDE3A
Mofezolac SCHEMBL151701 0.81 PTGS2 (1.00) PTGS2PTGS1PDE3A
SCHEMBL23410810 0.80 PTGS2 (0.62) PTGS2PTGS1PDE3APTGDR2
Mofezolac SCHEMBL5398805 0.80 PTGS2 (0.97) PTGS2PTGS1PDE3A
SCHEMBL6167767 0.78 PTGS2 (0.63) PTGS2PTGS1PDE3A
SCHEMBL4881634 0.77 PTGS2 (0.77) PTGS2PTGS1PDE3A
SCHEMBL6170017 0.77 PTGS2 (0.63) PTGS2PTGS1PDE3A
SCHEMBL5698463 0.77 PTGS2 (0.63) PTGS2PTGS1PDE3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725777-A1 PROCESS FOR PREPARING 3,4-DIARYL-5-ISOXAZOLYL ACETIC ACID DERIVATIVES F. JOH. KWIZDA GESELLSCHAFT M.B.H. (AT) 1996-08-14 EP disclosed
WO-1995011888-A1 PROCESS FOR PREPARING 3,4-DIARYL-5-ISOXAZOLYL ACETIC ACID DERIVATIVES F. JOH. KWIZDA GESELLSCHAFT M.B.H. (AT) 1995-05-04 WO disclosed