SCHEMBL7148451

SCHEMBL7148451

O=C(O)OC1=Cc2cc(Br)ccc2OC1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 4/20 0.54
PTGS2 P35354 16/20 0.46
PTGS1 P23219 7/20 0.46
ADRA2A P08913 2/20 0.38
DRD5 P21918 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
OPRM1 P35372 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL7147341 0.90 P2RY6 (0.44) P2RY6PTGS2PTGS1ADRA2ADRD5
SCHEMBL7143504 0.90 P2RY6 (0.42) P2RY6PTGS2PTGS1
SCHEMBL7142459 0.84 PTGS2 (0.66) P2RY6PTGS2PTGS1DRD5
SCHEMBL7147733 0.84 PTGS2 (0.66) P2RY6PTGS2PTGS1DRD5
SCHEMBL7146353 0.84 PTGS2 (0.66) P2RY6PTGS2PTGS1ADRA2ADRD5
SCHEMBL7146315 0.84 PTGS2 (0.66) P2RY6PTGS2PTGS1DRD5
SCHEMBL7147325 0.84 PTGS2 (0.46) P2RY6PTGS2PTGS1ADRA2ADRD5
SCHEMBL7147957 0.82 PTGS2 (0.53) P2RY6PTGS2PTGS1
SCHEMBL7150875 0.82 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7150645 0.82 PTGS2 (0.67) P2RY6PTGS2PTGS1ADRA2ADRD5

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