SCHEMBL7148172

SCHEMBL7148172

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.52
PTGS1 P23219 7/20 0.52
P2RY6 Q15077 1/20 0.40
ALOX5 P09917 3/20 0.38
BRAF P15056 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL7148413 1.00 PTGS2 (0.52) PTGS2PTGS1P2RY6ALOX5BRAF
SCHEMBL7148188 0.91 PTGS2 (0.51) PTGS2PTGS1ALOX5
SCHEMBL7151252 0.89 PTGS2 (0.61) PTGS2PTGS1P2RY6ALOX5
SCHEMBL7149773 0.89 PTGS2 (0.52) PTGS2PTGS1P2RY6ALOX5
SCHEMBL7146353 0.88 PTGS2 (0.66) PTGS2PTGS1P2RY6
SCHEMBL6092185 0.84 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL6091836 0.84 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL7150875 0.83 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7147930 0.83 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7148175 0.83 PTGS2 (0.49) 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