SCHEMBL7149501

SCHEMBL7149501

O=C(O)OC1=Cc2c(ccc3oc4ccccc4c23)OC1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.40
PTGS1 P23219 12/20 0.40
CDC14B O60729 1/20 0.36
CDC14A Q9UNH5 1/20 0.36
LMNA P02545 1/20 0.32

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
SCHEMBL6093709 0.83 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7146266 0.76 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7143134 0.74 P2RY6 (0.50) PTGS2PTGS1
SCHEMBL7145945 0.72 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL7146217 0.71 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL7148272 0.70 POLB (0.48) PTGS2PTGS1
SCHEMBL7149827 0.69 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7148188 0.69 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7142450 0.68 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL7149833 0.68 CA12 (0.38) 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