SCHEMBL9843885

SCHEMBL9843885

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR3 O14843 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPT P10636 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
SCHEMBL765893 0.78 SLC22A6 (0.45) PRKCASLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL8870951 0.77 SLC22A6 (0.36) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL28704878 0.76 SLC22A6 (0.43) PRKCASLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL6567069 0.72 BHMT (0.37) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL11212251 0.72 SLC22A6 (0.39) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL383408 0.70 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL17124705 0.70 TSHR (0.40) PRKCASLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL9844010 0.69 HTT (0.32) SLC22A6
SCHEMBL5512925 0.68 SLC22A6 (0.36) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL26138066 0.68 SMN1; SMN2 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454444-A1 Glutarimide derivatives and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-10-30 EP disclosed