SCHEMBL9709918

SCHEMBL9709918

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
FOLH1 Q04609 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SOAT1 P35610 1/20 0.33
BIRC2 Q13490 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
CPA1 P15085 1/20 0.31

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
SCHEMBL9732859 0.87 LMNA (0.54) CA1CA2ALDH1A1LMNATSHR
SCHEMBL9733066 0.85 CPB2 (0.43) CA1CA2GRIK1GRIK2TSHR
SCHEMBL11331406 0.83 ALDH1A1 (0.49) CA1CA2ALDH1A1LMNAGRIK1
SCHEMBL29051932 0.83 CA2 (0.65) CA1CA2ALDH1A1TSHRFAAH
SCHEMBL2137726 0.81 ALDH1A1 (0.51) CA1CA2ALDH1A1LMNAMEN1
SCHEMBL28087826 0.81 CA2 (0.62) CA1CA2ALDH1A1TSHRFAAH
SCHEMBL5879370 0.81 CA2 (0.58) CA1CA2ALDH1A1LMNAGRIK1
SCHEMBL10898377 0.80 GRIK1 (0.40) CA1CA2ALDH1A1GRIK1GRIK2
SCHEMBL7165372 0.80 CA2 (0.56) CA1CA2ALDH1A1LMNAGRIK1
SCHEMBL5599531 0.80 CA2 (0.56) CA1CA2ALDH1A1LMNAGRIK1

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