SCHEMBL9709563

SCHEMBL9709563

C=CCC(CCCC#N)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
DPP4 P27487 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
SLC1A2 P43004 1/20 0.30
ZDHHC7 Q9NXF8 1/20 0.30
CPA1 P15085 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
SCHEMBL29051932 0.81 CA2 (0.65) CA1CA2ALDH1A1TDP1ZDHHC7
SCHEMBL11331406 0.81 ALDH1A1 (0.49) CA1CA2ALDH1A1LMNAMEN1
SCHEMBL5879370 0.80 CA2 (0.58) CA1CA2ALDH1A1LMNAGRIK1
SCHEMBL2137726 0.80 ALDH1A1 (0.51) CA1CA2ALDH1A1LMNAMEN1
SCHEMBL28087826 0.80 CA2 (0.62) CA1CA2ALDH1A1TDP1ZDHHC7
SCHEMBL5677958 0.80 GRIK1 (0.46) CA2ALDH1A1MEN1KMT2AGRIK1
SCHEMBL5599531 0.79 CA2 (0.56) CA1CA2ALDH1A1LMNAGRIK1
SCHEMBL9732859 0.79 LMNA (0.54) CA1CA2ALDH1A1LMNAKMT2A
SCHEMBL7165372 0.79 CA2 (0.56) CA1CA2ALDH1A1LMNAGRIK1
SCHEMBL9709918 0.79 CA1 (0.43) CA1CA2ALDH1A1LMNAMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed