Sugi Predict

Sugi Predict / Compounds / SCHEMBL5798353

SCHEMBL5798353

SCHEMBL5798353

CCCC[C@H](C(=O)Oc1c(F)cc2c(c1F)c([C@H](C)C(=O)O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1)c1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.36
▸ PPARA Q07869 4/20 0.36
▸ PTGS2 P35354 2/20 0.32

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
SCHEMBL6424069 0.88 PPARG (0.41) PPARGPPARA
SCHEMBL6426787 0.88 PPARG (0.41) PPARGPPARA
SCHEMBL6422683 0.86 PPARG (0.40) PPARGPPARAPTGS2
SCHEMBL5553997 0.86 PPARG (0.41) PPARGPPARA
SCHEMBL5560089 0.86 PPARG (0.41) PPARGPPARA
SCHEMBL5553995 0.86 PPARG (0.41) PPARGPPARA
SCHEMBL5798056 0.83 PTGS2 (0.41) PPARGPPARAPTGS2
SCHEMBL5798059 0.83 PTGS2 (0.41) PPARGPPARAPTGS2
SCHEMBL6423923 0.83 PPARG (0.43) PPARGPPARA
SCHEMBL6423211 0.83 PPARG (0.43) PPARGPPARA

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