SCHEMBL7045996

SCHEMBL7045996

CC(CC(CN)CC(=O)O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.59
CACNB3 P54284 1/20 0.59
CACNA1C Q13936 1/20 0.59
PGR P06401 1/20 0.59
ADRA1A P35348 1/20 0.59
HTR2B P41595 1/20 0.59
CACNA2D2 Q9NY47 1/20 0.59
GABRR1 P24046 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.31
PGD P52209 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
SCHEMBL1913947 1.00 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3234881 0.80 CACNA2D1 (0.66) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913592 0.80 CACNA2D1 (0.66) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7424803 0.80 CACNA2D1 (0.66) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7424814 0.80 CACNA2D1 (0.66) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6885479 0.79 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913598 0.79 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL29139997 0.78 CACNA2D1 (0.34) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6902320 0.77 CACNA2D1 (0.61) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913666 0.77 CACNA2D1 (0.61) CACNA2D1CACNB3CACNA1CPGRADRA1A

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
CN-117045653-A Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-11-14 CN disclosed
CN-111135171-B Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-09-08 CN disclosed
EP-1469841-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY (US) 2004-10-27 EP disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed