SCHEMBL8582895

SCHEMBL8582895

CCCCc1cc(CC)c(S(N)(=O)=O)cc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 10/20 0.46
▸ CA1 P00915 7/20 0.46
▸ CA9 Q16790 6/20 0.46
▸ CA5A P35218 5/20 0.46
▸ CA12 O43570 5/20 0.43
▸ CA3 P07451 4/20 0.43
▸ CA4 P22748 4/20 0.43
▸ CA6 P23280 4/20 0.43
▸ CA7 P43166 4/20 0.43
▸ CA13 Q8N1Q1 4/20 0.43
▸ CA14 Q9ULX7 4/20 0.43
▸ CA5B Q9Y2D0 4/20 0.43
▸ CISD1 Q9NZ45 8/20 0.41
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 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
SCHEMBL8582780 0.92 CA2 (0.48) CA2CA1CA9CA5ACA12
SCHEMBL8583213 0.88 CA2 (0.44) CA2CA1CA9CA5ACA12
SCHEMBL8574215 0.87 CA2 (0.43) CA2CA1CA9CA5ACA12
SCHEMBL8581622 0.86 CA2 (0.48) CA2CA1CA9CA5ACA12
SCHEMBL8611119 0.84 CA2 (0.48) CA2CA1CA9CA5ACA12
SCHEMBL8608336 0.83 CA2 (0.41) CA2CA1CA9CA5ACA12
SCHEMBL8580364 0.82 CNR2 (0.37) CA2CA1CA9CA5ACA12
SCHEMBL8580858 0.81 CNR2 (0.37) CA2CA1CA9CA5AGABRP
SCHEMBL8581561 0.80 CA2 (0.50) CA2CA1CA9CA5ACA12
SCHEMBL8572711 0.80 CA2 (0.50) CA2CA1CA9CA5ACA12

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-5840761-A Alkylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-11-24 — — US disclosed
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