SCHEMBL22808772

SCHEMBL22808772

CSc1ccc(C2=C(OCC3CC3)C(=O)OC2(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.69
PTGS1 P23219 8/20 0.69
P2RX3 P56373 1/20 0.38

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
SCHEMBL14280452 0.86 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL14315246 0.85 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL15714003 0.81 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL21816582 0.81 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL17208127 0.79 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL7485289 0.74 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5140758 0.71 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL3814682 0.70 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL7920290 0.68 PARP15 (0.50)
SCHEMBL7490724 0.68 PTGS2 (0.67) 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
EP-3609877-B1 PROCESS FOR THE SYNTHESIS OF FIROCOXIB COSMA S P A (IT) 2020-12-23 EP disclosed