SCHEMBL7842827

SCHEMBL7842827

COc1ccc(OCc2nc(-c3ccc(F)cc3)c(-c3cc(C)cs3)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.49
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL7852859 0.91 PTGS1 (0.51) PPARDPTGS1PTGS2POLBL3MBTL1
SCHEMBL7845639 0.87 PTGS1 (0.61) PPARDPTGS1PTGS2
SCHEMBL7840156 0.84 PTGS2 (0.51) PPARDPTGS1PTGS2
SCHEMBL7832559 0.82 MAPT (0.45) PPARDPTGS1PTGS2POLB
SCHEMBL7841796 0.81 PTGS2 (0.54) PTGS1PTGS2
SCHEMBL7842822 0.78 PPARD (0.55) PPARDPTGS1PTGS2
SCHEMBL8798420 0.78 PTGS2 (0.50) PPARDPTGS1PTGS2
SCHEMBL7843106 0.77 PTGS2 (0.57) PTGS1PTGS2
SCHEMBL7839802 0.77 PTGS2 (0.57) PTGS1PTGS2L3MBTL1
SCHEMBL7840968 0.77 PTGS2 (0.71) PPARDPTGS1PTGS2

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-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed