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SCHEMBL5796883

SCHEMBL5796883

CCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(F)cc2)c2cc(F)c(O)cc12.Cc1c(CC(=O)NC(C)C)c2cc(O)c(F)cc2n1C(=O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.51
▸ PTGS1 P23219 4/20 0.49
▸ HRH4 Q9H3N8 1/20 0.47
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ HDAC3 O15379 3/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC8 Q9BY41 3/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.44
▸ HDAC2 Q92769 1/20 0.44

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
SCHEMBL5800097 0.95 PTGS2 (0.51) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL5554571 0.94 PTGS2 (0.54) PTGS2PTGS1HRH4AKR1C3AKR1C2
SCHEMBL6424119 0.91 AKR1C3 (0.52) PTGS2AKR1C3AKR1C2
SCHEMBL5554301 0.89 PTGS2 (0.54) PTGS2PTGS1HRH4AKR1C3AKR1C2
SCHEMBL6424996 0.88 PTGS2 (0.51) PTGS2PTGS1HRH4AKR1C3AKR1C2
SCHEMBL5797767 0.87 PTGS2 (0.46) PTGS2PTGS1HRH4
SCHEMBL5553920 0.87 PTGS2 (0.64) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL5554271 0.87 PTGS2 (0.53) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL5799180 0.87 AKR1C3 (0.49) PTGS2PTGS1HRH4AKR1C3AKR1C2
SCHEMBL5553684 0.86 PTGS2 (0.55) PTGS2PTGS1HRH4HDAC3HDAC1

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