SCHEMBL7842822

SCHEMBL7842822

COc1ccc(OCc2nc(-c3ccc(F)cc3)c(-c3ccc(SC)cc3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.55
PTGS2 P35354 2/20 0.50
PTGS1 P23219 1/20 0.50
PPARG P37231 1/20 0.47
PPARA Q07869 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
SCHEMBL7852850 0.91 PTGS2 (0.56) PPARDPTGS2PTGS1
SCHEMBL7845630 0.86 PTGS2 (0.68) PPARDPTGS2PTGS1
SCHEMBL7840151 0.83 PTGS1 (0.57) PPARDPTGS2PTGS1
SCHEMBL7840968 0.82 PTGS2 (0.71) PPARDPTGS2PTGS1
SCHEMBL7843982 0.81 PTGS2 (0.48) PPARDPTGS2PTGS1
SCHEMBL7841792 0.80 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7842827 0.78 PPARD (0.49) PPARDPTGS2PTGS1
SCHEMBL7841299 0.78 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL7843553 0.78 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL14436048 0.77 PPARD (0.88) PPARD

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