SCHEMBL5801049

SCHEMBL5801049

COc1cc2c(CC(=O)NC(C)C(=O)O)c(C)n(C(=O)c3ccc(Br)cc3)c2cc1Cl.COc1cc2c(CC(=O)NC(C)CC(=O)O)c(C)n(C(=O)c3ccc(Br)cc3)c2cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.59
PTGS1 P23219 3/20 0.59

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
SCHEMBL5560499 0.96 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6426811 0.94 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5808701 0.94 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL5814783 0.90 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL5559031 0.89 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5559726 0.89 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL5558992 0.88 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5558975 0.88 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5554315 0.88 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5559957 0.88 PTGS2 (0.66) 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
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed