SCHEMBL7149773

SCHEMBL7149773

O=C(O)OC1=Cc2cc(Oc3ccc(Cl)cc3)ccc2OC1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.52
PTGS1 P23219 9/20 0.52
P2RY6 Q15077 2/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
ALOX5 P09917 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
SCHEMBL7148188 0.91 PTGS2 (0.51) PTGS2PTGS1ALOX5
SCHEMBL7148413 0.89 PTGS2 (0.52) PTGS2PTGS1P2RY6ALOX5
SCHEMBL7148172 0.89 PTGS2 (0.52) PTGS2PTGS1P2RY6ALOX5
SCHEMBL7151252 0.89 PTGS2 (0.61) PTGS2PTGS1P2RY6ALOX5
SCHEMBL7146315 0.88 PTGS2 (0.66) PTGS2PTGS1P2RY6DRD5DRD3
SCHEMBL7142459 0.88 PTGS2 (0.66) PTGS2PTGS1P2RY6DRD5DRD3
SCHEMBL7144214 0.86 PTGS2 (0.54) PTGS2PTGS1P2RY6DRD5DRD3
SCHEMBL7146282 0.85 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7145968 0.84 PTGS2 (0.52) PTGS2PTGS1P2RY6DRD5DRD3
SCHEMBL6092246 0.84 PTGS2 (0.75) 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-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP claimed