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SCHEMBL5800149

SCHEMBL5800149

CCCCNC(=O)Cc1c(C)n(C(=O)c2cccc(F)c2)c2cc(F)c(O)c(F)c12.Cc1c(CC(=O)NC(C)C)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 14/20 0.42
▸ PTGS1 P23219 4/20 0.40
▸ HRH4 Q9H3N8 1/20 0.38
▸ HDAC3 O15379 3/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36

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
SCHEMBL5554400 0.94 PTGS2 (0.44) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL5559763 0.92 AKR1C3 (0.41) PTGS2AKR1C3AKR1C2
SCHEMBL5558791 0.90 PTGS2 (0.42) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL5560930 0.89 PTGS2 (0.41) PTGS2PTGS1HRH4NPC1AKR1C3
SCHEMBL5800145 0.87 PTGS2 (0.46) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL5553613 0.87 PTGS2 (0.49) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL5554009 0.86 PTGS2 (0.48) PTGS2AKR1C3AKR1C2
SCHEMBL5554016 0.86 PTGS2 (0.48) PTGS2AKR1C3AKR1C2
SCHEMBL5558996 0.85 PTGS2 (0.46) PTGS2PTGS1HRH4AKR1C3AKR1C2
SCHEMBL5800318 0.85 AKR1C3 (0.41) PTGS2PTGS1AKR1C3AKR1C2

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