SCHEMBL28599334

SCHEMBL28599334

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.36
FFAR3 O14843 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
GPR84 Q9NQS5 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
GABRR1 P24046 2/20 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
SCHEMBL1913657 0.87 CACNA2D1 (0.42) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL5512925 0.81 SLC22A6 (0.36) SLC22A6FFAR3TDP1CACNA2D1CACNB3
SCHEMBL1572826 0.80 SMN1; SMN2 (0.42) SLC22A6FFAR3TDP1CACNA2D1CACNB3
SCHEMBL4988061 0.77 GABRP (0.37) SLC22A6TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL5077882 0.76 SLC22A6 (0.45) SLC22A6FFAR3TDP1GPR84SMN1; SMN2
SCHEMBL678102 0.76 SLC22A6 (0.45) SLC22A6FFAR3TDP1GPR84SMN1; SMN2
SCHEMBL5960145 0.76 SMN1; SMN2 (0.48) SLC22A6FFAR3TDP1CACNA2D1CACNB3
SCHEMBL765893 0.76 SLC22A6 (0.45) SLC22A6FFAR3TDP1CACNA2D1CACNB3
Bicarbonate SCHEMBL22462425 0.76 FFAR3 (0.37) FFAR3TDP1ADRA1A
SCHEMBL10751531 0.76 TDP1 (0.40) SLC22A6FFAR3TDP1CACNA2D1CACNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113179643-A Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2021-07-27 CN disclosed