SCHEMBL4412290

SCHEMBL4412290

CC(C)CC(CC(=O)O)CC(C)C

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.74
CACNB3 P54284 1/20 0.74
CACNA1C Q13936 1/20 0.74
PGR P06401 1/20 0.74
ADRA1A P35348 1/20 0.74
HTR2B P41595 1/20 0.74
CACNA2D2 Q9NY47 1/20 0.74
RNPEP Q9H4A4 1/20 0.44
SLC7A5 Q01650 1/20 0.44
MME P08473 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL11762538 0.97 CACNA2D1 (0.71) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1410027 0.94 CACNA2D1 (0.74) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL2844937 0.91 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL12878966 0.87 CACNA2D1 (0.65) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3416592 0.87 CACNA2D1 (0.65) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7242326 0.87 CACNA2D1 (0.65) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7860989 0.87 CACNA2D1 (0.65) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL24873754 0.85 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL2370227 0.85 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL15497 0.85 CACNA2D1 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3009497-B1 CLEANSER COMPOSITION LION CORP (JP) 2018-11-21 EP claimed
EP-0219626-A2 Film-forming compositions comprising polyglutarimide International Business Machines Corporation (US) 1987-04-29 EP claimed
CN-117916012-A Microcapsule and microcapsule preparation method 斯皮尔阿罗曼斯有限公司 2024-04-19 CN disclosed
EP-2133102-B1 Odor reducers SYMRISE AG (DE) 2014-12-03 EP disclosed
EP-2133102-A1 Odor reducers Symrise GmbH & Co. KG (DE) 2009-12-16 EP disclosed