SCHEMBL27748967

SCHEMBL27748967

CC(=O)OCCc1c(C)n(Cc2ccc(S(C)(=O)=O)cc2C(F)(F)F)c2ccc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.49
PTGS2 P35354 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
SCHEMBL1190574 0.85 PTGDR2 (0.53) PTGDR2PTGS2
SCHEMBL1194089 0.85 PTGDR2 (0.66) PTGDR2
SCHEMBL27748968 0.82 PTGDR2 (0.46) PTGDR2PTGS2
SCHEMBL27728079 0.81 PTGDR2 (0.56) PTGDR2PTGS2
SCHEMBL1191271 0.75 PTGDR2 (0.74) PTGDR2
SCHEMBL1190673 0.75 PTGDR2 (0.60) PTGDR2
SCHEMBL1194437 0.71 PTGDR2 (0.51) PTGDR2
SCHEMBL20522523 0.67 PTGDR2 (0.50) PTGDR2
SCHEMBL20508235 0.67 PTGDR2 (0.81) PTGDR2
SCHEMBL1598792 0.66 PTGDR2 (1.00) PTGDR2

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
CN-101351445-A Bicyclic heteroyclic compounds as antiinflammatory or antiallergic agents NOVARTIS AG (CH) 2009-01-21 CN disclosed