Sugi Predict

Sugi Predict / Compounds / SCHEMBL5800742

SCHEMBL5800742

SCHEMBL5800742

Cc1c([C@H](C)C(=O)OC(C)C)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.44
▸ PPARG P37231 9/20 0.44
▸ PPARA Q07869 4/20 0.44
▸ TRPV1 Q8NER1 2/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ AKR1C3 P42330 2/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ ALOX5 P09917 1/20 0.41

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
SCHEMBL5800739 1.00 PTGS2 (0.44) PTGS2PPARGPPARATRPV1PTGS1
SCHEMBL5559133 0.91 PPARG (0.44) PTGS2PPARGPPARATRPV1PTGS1
SCHEMBL5813863 0.90 PPARG (0.44) PTGS2PPARGPPARATRPV1PTGS1
SCHEMBL2003386 0.89 PPARG (0.49) PTGS2PPARGPPARATRPV1PTGS1
SCHEMBL5553988 0.89 PPARG (0.49) PTGS2PPARGPPARATRPV1PTGS1
SCHEMBL5553980 0.89 PPARG (0.49) PTGS2PPARGPPARATRPV1PTGS1
SCHEMBL5558692 0.88 PPARG (0.45) PTGS2PPARGPPARATRPV1PTGS1
SCHEMBL5558698 0.88 PPARG (0.45) PTGS2PPARGPPARATRPV1PTGS1
SCHEMBL5798287 0.88 PTGS2 (0.46) PTGS2PPARGPPARATRPV1PTGS1
SCHEMBL5798285 0.88 PTGS2 (0.46) PTGS2PPARGPPARATRPV1PTGS1

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
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 — — WO disclosed