SCHEMBL6743803

SCHEMBL6743803

COc1ccc(C2=CCC=C2c2cc(F)c(S(C)(=O)=O)c(F)c2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.53
PTGS1 P23219 6/20 0.50
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6746815 0.90 PTGS2 (0.42) PTGS2PTGS1LMNAMAPTHTT
SCHEMBL6745050 0.86 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6749852 0.84 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8974723 0.82 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6745443 0.81 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6746211 0.81 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6746439 0.80 CASP1 (0.39) PTGS2PTGS1HTT
SCHEMBL6750004 0.80 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6735438 0.78 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6746730 0.78 PTGS2 (0.38) PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US claimed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed