SCHEMBL7984583

SCHEMBL7984583

COc1cccc(-c2cc(C)[nH]c2-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.51
GCGR P47871 1/20 0.46
MAPK14 Q16539 1/20 0.46
TEK Q02763 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL7985910 0.87 PTGS2 (0.57) PTGS2MAPK14TEKPTGS1
SCHEMBL7983488 0.84 MAPK14 (0.54) PTGS2MAPK14PTGS1
SCHEMBL7990482 0.82 PTGS2 (0.60) PTGS2
SCHEMBL7985927 0.82 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL7982199 0.82 PTGS2 (0.59) PTGS2GCGRMAPK14PTGS1
Dimethylamine SCHEMBL7985933 0.81 MAPK14 (0.51) PTGS2MAPK14PTGS1
SCHEMBL7981972 0.80 PTGS2 (0.51) PTGS2MAPK14PTGS1
SCHEMBL7972882 0.80 PTGS2 (0.47) PTGS2MAPK14PTGS1
SCHEMBL6725743 0.80 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL25490919 0.79 PLAU (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294568-B1 ANTIINFLAMMATORY AGENTS AND ANTITUMOR AGENTS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENTS AND COX2 ENZYME INHIBITORS NISSIN FOOD PRODUCTS CO., LTD. (JP) 2001-09-25 US disclosed
EP-1048649-A1 5-ARYLPYRROLE DERIVATIVES NISSIN FOOD PRODUCTS CO., LTD. (JP) 2000-11-02 EP disclosed