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Sugi Predict / Compounds / SCHEMBL6749879

SCHEMBL6749879

SCHEMBL6749879

CS(=O)(=O)c1c(F)cc(C2=CCC=C2c2cc(Cl)cc(Cl)c2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.40
▸ PTGS2 P35354 15/20 0.35
▸ PTGS1 P23219 6/20 0.35
▸ ARNT P27540 2/20 0.30
▸ EPAS1 Q99814 2/20 0.30
▸ PTPRC P08575 1/20 0.30
▸ CCR2 P41597 1/20 0.30

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
SCHEMBL6746439 0.88 CASP1 (0.39) CASP1PTGS2PTGS1CCR2
SCHEMBL6743237 0.87 PTGS2 (0.38) CASP1PTGS2PTGS1CCR2
SCHEMBL6750004 0.84 PTGS2 (0.46) CASP1PTGS2PTGS1ARNTEPAS1
SCHEMBL6749937 0.84 PTGS2 (0.36) CASP1PTGS2PTGS1ARNTEPAS1
SCHEMBL6746288 0.83 CASP1 (0.35) CASP1PTGS2
SCHEMBL6745050 0.82 PTGS2 (0.42) CASP1PTGS2PTGS1
SCHEMBL6743712 0.81 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6744935 0.81 PTGS2 (0.36) CASP1PTGS2PTGS1
SCHEMBL6745120 0.81 ACLY (0.35) CASP1PTGS2PTGS1
SCHEMBL6750091 0.81 CASP1 (0.35) CASP1PTGS2

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