SCHEMBL8086948

SCHEMBL8086948

CCCCOc1nc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)cc1C(C)CCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.54
PTGS1 P23219 6/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.39
CHRNA7 P36544 2/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
CA4 P22748 3/20 0.37
CNR1 P21554 1/20 0.37
TSHR P16473 1/20 0.36
CA7 P43166 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL8092516 0.92 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL8086535 0.86 PTGS2 (0.61) PTGS2PTGS1CHRNA7MEN1KMT2A
SCHEMBL8094137 0.85 PTGS2 (0.64) PTGS2PTGS1PTGDR2CHRNA7CA12
SCHEMBL8086946 0.84 PTGS2 (0.57) PTGS2PTGS1PTGDR2CHRNA7CA12
SCHEMBL8776870 0.79 PTGS2 (0.58) PTGS2PTGS1PTGDR2CHRNA7MEN1
SCHEMBL8093078 0.79 PTGS2 (0.83) PTGS2PTGS1CHRNA7MEN1KMT2A
SCHEMBL8088327 0.79 PTGS2 (0.64) PTGS2PTGS1CHRNA7MEN1KMT2A
SCHEMBL8776868 0.79 PTGS2 (0.57) PTGS2PTGS1PTGDR2CHRNA7MEN1
SCHEMBL8088323 0.78 PTGS2 (0.63) PTGS2PTGS1CHRNA7MEN1KMT2A
SCHEMBL8094129 0.78 PTGS2 (0.63) PTGS2PTGS1PTGDR2CHRNA7CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808304-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 EP claimed
EP-0808304-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 EP disclosed
EP-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP disclosed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO disclosed