SCHEMBL7147733

SCHEMBL7147733

Cc1ccc2c(c1)C=C(OC(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.66
PTGS1 P23219 11/20 0.49
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
P2RY6 Q15077 1/20 0.40

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
SCHEMBL18060581 0.91 PTGS2 (0.55) PTGS2PTGS1DRD5DRD3P2RY6
SCHEMBL7150416 0.90 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7142459 0.87 PTGS2 (0.66) PTGS2PTGS1DRD5DRD3P2RY6
SCHEMBL7146315 0.87 PTGS2 (0.66) PTGS2PTGS1DRD5DRD3P2RY6
SCHEMBL7147957 0.85 PTGS2 (0.53) PTGS2PTGS1P2RY6
SCHEMBL7147325 0.84 PTGS2 (0.46) PTGS2PTGS1DRD5DRD3P2RY6
SCHEMBL7146353 0.84 PTGS2 (0.66) PTGS2PTGS1DRD5P2RY6
SCHEMBL7148451 0.84 P2RY6 (0.54) PTGS2PTGS1DRD5P2RY6
SCHEMBL7143304 0.84 PTGS2 (0.46) PTGS2PTGS1DRD5P2RY6
SCHEMBL7140517 0.83 PTGS2 (0.46) PTGS2PTGS1DRD5DRD3P2RY6

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