SCHEMBL6791159

SCHEMBL6791159

O=C(O)C1=Cc2cc(CO)ccc2OC1C(F)(F)CF

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.62
PTGS1 P23219 12/20 0.62

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
SCHEMBL6092640 0.88 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL6092646 0.88 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL6791161 0.80 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5642882 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5644512 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5647713 0.77 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL27648316 0.76 PTGS2 (0.97) PTGS2PTGS1
SCHEMBL27628664 0.76 PTGS2 (0.97) PTGS2PTGS1
SCHEMBL27628401 0.76 PTGS2 (0.97) PTGS2PTGS1
SCHEMBL6791167 0.75 PTGS2 (0.50) PTGS2PTGS1

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
US-6806288-B1 CYCLOOXYGENASE-2 MEDIATED DISORDERS; REDUCES INFLAMMATION; FEWER SIDE EFFECTS G.D. SEARLE & CO. 2004-10-19 US disclosed