SCHEMBL11086491

SCHEMBL11086491

C[C@H](CSS(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.44
▸ ACE P12821 6/20 0.43
▸ REN P00797 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PEPD P12955 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ CA1 P00915 2/20 0.41

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
SCHEMBL11086488 1.00 CA2 (0.44) CA2ACERENKDM4EF2
SCHEMBL11084537 0.84 CA2 (0.44) CA2ACERENKDM4EF2
SCHEMBL11084531 0.84 CA2 (0.44) CA2ACERENKDM4EF2
SCHEMBL11090981 0.78 ACE (0.43) CA2ACERENKDM4EF2
SCHEMBL11090985 0.78 ACE (0.43) CA2ACERENKDM4EF2
SCHEMBL11050059 0.75 ACE (0.52) ACELMNA
SCHEMBL11228795 0.75 MAPT (0.47) CA2ACERENKDM4EF2
SCHEMBL11122413 0.75 CA2 (0.62) CA2ACEKDM4ELMNAMAPT
SCHEMBL19387581 0.73 ACE (0.62) ACERENKDM4EF2LMNA
SCHEMBL19387587 0.73 ACE (0.62) ACERENKDM4EF2LMNA

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-4450275-A HYPOTENSIVE AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1984-05-22 — — US disclosed
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