SCHEMBL9709901

SCHEMBL9709901

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.38
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.31
CPA1 P15085 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL9732893 0.80 MAPT (0.39) SLC1A2ALDH1A1CYP2C19MEN1KMT2A
SCHEMBL13347367 0.78 GRIK1 (0.47) GRIK1GRIK2CYP2C19CPA1
SCHEMBL5677958 0.77 GRIK1 (0.46) SLC1A2GRIK1GRIK2ALDH1A1CYP2C19
SCHEMBL9709564 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9709906 0.73 TSHR (0.34)
SCHEMBL7002066 0.72 SLC1A2 (0.55) SLC1A2GRIK1GRIK2ALDH1A1CYP2C19
SCHEMBL9709877 0.70 KMT2A (0.40) ALDH1A1MEN1KMT2A
SCHEMBL4021287 0.68 CPA1 (0.44) GRIK1GRIK2CYP2C19CPA1MEN1
SCHEMBL9709607 0.67 NLRP3 (0.32)
SCHEMBL9709563 0.66 CA1 (0.42) SLC1A2GRIK1GRIK2ALDH1A1CPA1

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