SCHEMBL2990965

SCHEMBL2990965

CCCP(=O)(CCC)C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACE2 Q9BYF1 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL2991611 0.80 TP53 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1313868 0.79 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2992926 0.74 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
Butane SCHEMBL7009352 0.73 FDPS (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11019755 0.73 TRPM8 (0.54) ACE2TRPM8
SCHEMBL1315919 0.71 TRPM8 (0.42) TRPM8
SCHEMBL10981880 0.70 TP53 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1036993 0.69 LPAR3 (0.52) ACE2TRPM8
SCHEMBL1313336 0.68 ANPEP (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2987567 0.68 HTT (0.35) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962192-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-24 US disclosed
US-8574757-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2013-11-05 US disclosed
US-20120264011-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-10-18 US disclosed
US-20100035147-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-11 US disclosed