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SCHEMBL5813293

SCHEMBL5813293

CCC(C)NC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)F)cc2)c2ccc(O)cc12.CCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)F)cc2)c2ccc(O)cc12.Cc1c(CC(=O)NC(C)C)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 16/20 0.56
▸ PTGS1 P23219 4/20 0.55
▸ HRH4 Q9H3N8 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47

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
SCHEMBL5553938 0.92 PTGS2 (0.64) PTGS2PTGS1HRH4TRPV1HDAC3
SCHEMBL5559899 0.91 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5558921 0.88 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL5554644 0.87 PTGS2 (0.61) PTGS2PTGS1HRH4TRPV1HDAC3
SCHEMBL5808525 0.87 PTGS2 (0.53) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL5797492 0.87 PTGS2 (0.59) PTGS2PTGS1HRH4TRPV1HDAC3
SCHEMBL5554323 0.85 PTGS2 (0.67) PTGS2PTGS1HRH4TRPV1HDAC3
SCHEMBL5560551 0.84 PTGS2 (0.74) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL5559442 0.84 PTGS2 (0.58) PTGS2PTGS1HRH4TRPV1
SCHEMBL6426585 0.82 PTGS2 (0.55) 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