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Sugi Predict / Compounds / SCHEMBL8032930

SCHEMBL8032930

SCHEMBL8032930

COc1ccc(-c2cc(C)nn2-c2ccc(S(N)(=O)=O)c(CO)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 16/20 0.75
▸ CA1 P00915 2/20 0.59
▸ CA2 P00918 2/20 0.59
▸ CA9 Q16790 2/20 0.59
▸ CHRNA7 P36544 1/20 0.51
▸ F10 P00742 1/20 0.49

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
SCHEMBL8033502 0.91 PTGS2 (0.75) PTGS2CA1CA2CA9CHRNA7
SCHEMBL8037107 0.89 PTGS2 (0.76) PTGS2CA1CA2CA9
SCHEMBL8037140 0.89 PTGS2 (0.61) PTGS2CA1CA2CA9
SCHEMBL8023934 0.88 PTGS2 (0.73) PTGS2CA1CA2CA9CHRNA7
SCHEMBL8023278 0.87 PTGS2 (0.72) PTGS2CA1CA2CA9
SCHEMBL8023286 0.87 PTGS2 (0.72) PTGS2CA1CA2CA9CHRNA7
SCHEMBL8033030 0.87 PTGS2 (0.72) PTGS2CA1CA2CA9CHRNA7
SCHEMBL8039325 0.87 PTGS2 (0.75) PTGS2CA1CA2CA9
SCHEMBL8039648 0.87 PTGS2 (0.58) PTGS2CA1CA2CA9F10
SCHEMBL8023297 0.86 PTGS2 (0.73) PTGS2CA1CA2CA9

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
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 — — WO claimed
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 — — WO disclosed
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