SCHEMBL777296

SCHEMBL777296

Cc1ccc(C(=O)C(C)CCCP(=O)(O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
ADRA2B P18089 1/20 0.47
DRD3 P35462 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 6/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
SLC6A3 Q01959 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A2 P23975 3/20 0.39
GAA P10253 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
MMP8 P22894 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL778566 0.83 LMNA (0.47) ALDH1A1LMNAGAACES2CES1
SCHEMBL777605 0.82 TAS1R3 (0.46) ALDH1A1TDP1SLC6A3SLC6A4SLC6A2
SCHEMBL777227 0.81 CHRM2 (0.50) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL12964103 0.81 CHRM2 (0.50) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL30306633 0.80 CHRM2 (0.49) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL779389 0.77 ALDH1A1 (0.41) ALDH1A1TDP1SLC6A3SLC6A4SLC6A2
SCHEMBL3885280 0.77 ALDH1A1 (0.47) ALDH1A1LMNATDP1CA12CA1
SCHEMBL777569 0.75 ALDH1A1 (0.47) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL14258941 0.73 CHRM2 (0.49) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL13672815 0.73 CHRM2 (0.56) CHRM2ADRA2BDRD3SIGMAR1HRH3

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-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed