SCHEMBL8572711

SCHEMBL8572711

CCCc1cc(Br)c(S(N)(=O)=O)cc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 18/20 0.50
▸ CA1 P00915 16/20 0.50
▸ CA5A P35218 14/20 0.50
▸ CA9 Q16790 14/20 0.50
▸ CA12 O43570 14/20 0.50
▸ CA6 P23280 13/20 0.50
▸ CA7 P43166 13/20 0.50
▸ CA13 Q8N1Q1 13/20 0.50
▸ CA14 Q9ULX7 13/20 0.50
▸ CA3 P07451 12/20 0.50
▸ CA4 P22748 12/20 0.50
▸ CA5B Q9Y2D0 11/20 0.50
▸ CISD1 Q9NZ45 1/20 0.38

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
SCHEMBL8573814 0.90 CA2 (0.50) CA2CA1CA5ACA9CA12
SCHEMBL8582780 0.87 CA2 (0.48) CA2CA1CA5ACA9CA12
SCHEMBL8575016 0.86 GSTO1 (0.40) CA2CA1CA5ACA9CA12
SCHEMBL8581893 0.86 CA2 (0.47) CA2CA1CA5ACA9CA12
SCHEMBL8573214 0.85 CA2 (0.46) CA2CA1CA5ACA9CA12
SCHEMBL8573646 0.84 CA2 (0.48) CA2CA1CA5ACA9CA12
SCHEMBL8581622 0.84 CA2 (0.48) CA2CA1CA5ACA9CA12
SCHEMBL8575392 0.84 CA12 (0.61) CA2CA1CA5ACA9CA12
SCHEMBL8581598 0.81 CA2 (0.39) CA2CA1CA5ACA9CA12
SCHEMBL18425415 0.81 CA2 (0.64) CA2CA1CA5ACA9CA12

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
US-5849796-A Ortho-substituted benzoil acid derivatives MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-12-15 — — US disclosed
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