SCHEMBL7049189

SCHEMBL7049189

COC1(C)OC(=O)C(Oc2ccc(F)c(F)c2)=C1c1ccc([S+](C)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.59
PTGS1 P23219 11/20 0.59

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
SCHEMBL6064365 0.90 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5208275 0.85 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL4575852 0.74 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7252793 0.73 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8311314 0.70 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL5742230 0.69 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5208053 0.69 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5208069 0.69 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL7829791 0.68 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5208459 0.67 PTGS2 (0.74) 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-2003015717-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-27 WO disclosed