SCHEMBL4669925

SCHEMBL4669925

COc1c(Cl)cc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCCCCCC3(CC3)C2)cc1Cl

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.79
PTGS1 P23219 8/20 0.64

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
SCHEMBL213004 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8383976 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8388406 0.77 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL215587 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8385000 0.76 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL8388459 0.76 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8386114 0.76 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8384018 0.75 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8389357 0.75 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8385278 0.74 PTGS2 (0.76) 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-1479385-B1 Use of cyclooxygenase-2 inhibitors in the treatment and prevention of neoplasia SEARLE LLC (US) 2008-07-02 EP claimed