SCHEMBL9979307

SCHEMBL9979307

CC(C)CC(C)CC(N)=O.CC(C)CC(C)CC(N)=O.CC(C)CC(C)CC(N)=O.CC(C)CC(C)CC(N)=O.O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
CACNA2D1 P54289 2/20 0.44
CACNB3 P54284 1/20 0.44
CACNA1C Q13936 1/20 0.44
PGR P06401 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
CACNA2D2 Q9NY47 1/20 0.44
SLC7A5 Q01650 1/20 0.41
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 1/20 0.37
ECE1 P42892 3/20 0.37
RNPEP Q9H4A4 1/20 0.36
MME P08473 2/20 0.36
BHMT Q93088 1/20 0.34
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 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
Tricarballylic Acid SCHEMBL9979059 0.85 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL8623618 0.84 SLC7A5 (0.42) TDP1CACNA2D1CACNB3CACNA1CPGR
Ammonia Solution, Strong SCHEMBL28027924 0.80 CACNA2D1 (0.52) TDP1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL2680480 0.80 TDP1 (0.74) TDP1SLC1A3SLC1A2SLC1A1ECE1
SCHEMBL968570 0.77 CACNA2D1 (0.54) TDP1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL5536469 0.77 CACNA2D1 (0.54) TDP1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL28225423 0.77 SLC1A3 (0.57) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3783223 0.75 CACNA2D1 (0.52) TDP1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL939129 0.75 BHMT (0.42) TDP1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL12575149 0.75 BHMT (0.42) TDP1CACNA2D1CACNB3CACNA1CPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492468-B2 Polypropylene resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-23 US disclosed
US-20110301268-A1 POLYPROPYLENE RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-08 US disclosed