SCHEMBL8311542

SCHEMBL8311542

CC(C)CNc1ccc2c(c1)C=C(C(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.61
PTGS1 P23219 11/20 0.61

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
SCHEMBL5647863 0.91 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8292193 0.82 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL29527405 0.81 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6095071 0.81 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL214284 0.81 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5647422 0.80 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL5694265 0.80 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL27648318 0.79 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL14460126 0.78 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5648151 0.78 PTGS2 (0.70) 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
WO-2005018563-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A PHOSPHODIESTERASE INHIBITOR FOR THE TREATMENT OF ISCHEMIC MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed