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SCHEMBL5823728

SCHEMBL5823728

COc1cc2c(CC(=O)NCC(=O)O)c(C)n(C(=O)c3ccc(F)cc3)c2cc1F.COc1cc2c(CC(=O)NCCC(=O)O)c(C)n(C(=O)c3ccc(F)cc3)c2cc1F

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.53
▸ AKR1C2 P52895 3/20 0.53
▸ PTGS2 P35354 14/20 0.50
▸ PTGS1 P23219 4/20 0.50
▸ HRH4 Q9H3N8 1/20 0.47
▸ HDAC3 O15379 3/20 0.46
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC8 Q9BY41 3/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.46
▸ HDAC2 Q92769 1/20 0.46

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
SCHEMBL5559100 0.97 AKR1C3 (0.56) AKR1C3AKR1C2PTGS2PTGS1HRH4
SCHEMBL5558823 0.95 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1HRH4
SCHEMBL5558746 0.91 AKR1C3 (0.53) AKR1C3AKR1C2PTGS2PTGS1HRH4
SCHEMBL5559563 0.90 PTGS2 (0.52) AKR1C3AKR1C2PTGS2PTGS1HRH4
SCHEMBL5554578 0.89 AKR1C3 (0.55) AKR1C3AKR1C2PTGS2PTGS1HRH4
SCHEMBL5558732 0.88 AKR1C3 (0.57) AKR1C3AKR1C2PTGS2PTGS1HRH4
SCHEMBL6427013 0.88 PTGS2 (0.66) AKR1C3AKR1C2PTGS2PTGS1HRH4
SCHEMBL5800372 0.88 PTGS2 (0.53) AKR1C3AKR1C2PTGS2PTGS1HRH4
SCHEMBL5559167 0.88 PTGS2 (0.54) AKR1C3AKR1C2PTGS2PTGS1HRH4
SCHEMBL5554157 0.88 PTGS2 (0.61) AKR1C3AKR1C2PTGS2PTGS1HRH4

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