SCHEMBL5531023

SCHEMBL5531023

CC(CC(=O)O)C(C)(C)C1(C(=O)O)OO1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
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
SCHEMBL6426573 0.80 PGD (0.33) PGD
SCHEMBL23913764 0.71 SLC22A6 (0.41) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL1572820 0.71 SLC22A6 (0.41) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL20711453 0.71 SLC22A6 (0.41) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL1131832 0.67 SLC22A6 (0.38) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL15220069 0.67 SLC22A6 (0.38) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL8372729 0.67 TSHR (0.39) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL11403048 0.67 CACNA2D1 (0.40) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL249850 0.67 TSHR (0.39) SLC22A6CACNA2D1CACNB3CACNA1CPGR
Ammonia Solution, Strong SCHEMBL8858462 0.66 TDP1 (0.40) SLC22A6CACNA2D1CACNB3CACNA1CPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1508934-B1 Electrolyte for rechargeable lithium battery and rechargeable lithium battery comprising the same SAMSUNG SDI CO LTD (KR) 2007-02-28 EP claimed
EP-0601572-B1 Method for producing a spherical ion exchange resin MITSUBISHI CHEM CORP (JP) 1997-10-15 EP claimed
EP-0506267-B1 Resin composition for making expanded thermoplastics patterns, patterns produced therefrom and their use in metal casting FOSECO INT (GB) 1996-06-26 EP claimed