SCHEMBL5554767

SCHEMBL5554767

CCC(CNC(=O)Cc1c(C)n(C(=O)c2ccc(C)cc2)c2cc(Cl)c(OC)cc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.61
PTGS1 P23219 2/20 0.61
MAPT P10636 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 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
SCHEMBL6426508 0.90 PTGS2 (0.66) PTGS2PTGS1MAPT
SCHEMBL5559359 0.88 PTGS2 (0.67) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5559164 0.86 PTGS2 (0.71) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5560630 0.86 PTGS2 (0.67) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5554197 0.85 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL5559939 0.84 PTGS2 (0.69) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5797053 0.84 PTGS2 (0.68) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5558185 0.84 PTGS2 (0.70) PTGS2PTGS1MAPT
SCHEMBL5559957 0.84 PTGS2 (0.66) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5559871 0.84 PTGS2 (0.67) PTGS2PTGS1MAPTAKR1C3AKR1C2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO disclosed