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Sugi Predict / Compounds / SCHEMBL5801401

SCHEMBL5801401

SCHEMBL5801401

CCCNC(=O)Cc1c(C)n(C(=O)c2ccc(C)cc2)c2cc(Cl)c(O)cc12.Cc1ccc(C(=O)n2c(C)c(CC(=O)NC(C)C)c3cc(O)c(Cl)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 20/20 0.51
▸ PTGS1 P23219 4/20 0.50
▸ HRH4 Q9H3N8 1/20 0.48

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
SCHEMBL5812635 0.95 PTGS2 (0.57) PTGS2PTGS1HRH4
SCHEMBL6426432 0.94 PTGS2 (0.55) PTGS2PTGS1HRH4
SCHEMBL5822627 0.93 PTGS2 (0.49) PTGS2PTGS1HRH4
SCHEMBL5554431 0.93 PTGS2 (0.57) PTGS2
SCHEMBL5799866 0.91 PTGS2 (0.42) PTGS2PTGS1HRH4
SCHEMBL6464795 0.88 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL5797364 0.88 PTGS2 (0.56) PTGS2PTGS1HRH4
SCHEMBL5554102 0.88 PTGS2 (0.59) PTGS2PTGS1HRH4
SCHEMBL5559296 0.88 PTGS2 (0.63) PTGS2PTGS1HRH4
SCHEMBL5558524 0.87 PTGS2 (0.60) 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