SCHEMBL7141016

SCHEMBL7141016

O=C(O)OC1=Cc2cc(I)cc(I)c2OC1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.38
PTGS1 P23219 14/20 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
SCHEMBL7142503 0.87 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6092594 0.80 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6095238 0.80 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7143497 0.77 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7146746 0.77 P2RY6 (0.53) PTGS2PTGS1
SCHEMBL7147709 0.76 P2RY6 (0.54) PTGS2PTGS1
SCHEMBL7143272 0.76 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7145346 0.76 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5498086 0.76 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7149813 0.75 PTGS2 (0.51) 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