SCHEMBL5798438

SCHEMBL5798438

CCOC(=O)C1=Cc2cc(OC(F)(F)F)ccc2OC1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.72
PTGS1 P23219 15/20 0.72

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
SCHEMBL16893626 0.88 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL16893629 0.88 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL16893539 0.88 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL16893541 0.88 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL16707183 0.87 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL5644668 0.86 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL5643533 0.86 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL5646961 0.85 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5647418 0.85 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5643667 0.85 PTGS2 (0.57) 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-2006040672-A1 SUBSTITUTED CYCLOPROPYL CHROMENE COMPOUNDS FOR USE IN THE TREATMENT AND PREVENTION OF INFLAMMATION RELATED CONDITIONS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-04-20 WO disclosed