SCHEMBL28008246

SCHEMBL28008246

CCCC(=O)OOc1ccccc1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH1 P35367 7/20 0.44
DRD2 P14416 2/20 0.43
DRD1 P21728 2/20 0.43
DRD3 P35462 1/20 0.43
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL2901718 0.82 MEN1 (0.37) SMN1; SMN2TP53TSHRL3MBTL1LMNA
SCHEMBL27345094 0.80 AOC2 (0.43) TSHRL3MBTL1LMNAKDM4E
SCHEMBL10975220 0.76 PTGDR2 (0.47) HPGDSMN1; SMN2CYP1A2CYP2C9LMNA
SCHEMBL28008237 0.76 KDM4E (0.46) HPGDSMN1; SMN2TP53L3MBTL1LMNA
SCHEMBL1345320 0.75 HRH1 (0.51) HPGDSMN1; SMN2HRH1DRD2DRD1
SCHEMBL10975745 0.75 MEN1 (0.39) HPGDSMN1; SMN2L3MBTL1LMNAKDM4E
SCHEMBL27602777 0.75 ALDH1A1 (0.48) HPGDSMN1; SMN2TP53TSHRL3MBTL1
SCHEMBL577685 0.74 CES2 (0.44) HPGDSMN1; SMN2TP53L3MBTL1LMNA
SCHEMBL27953226 0.74 POLB (0.41) CYP1A2CYP3A4CYP2C9L3MBTL1LMNA
SCHEMBL29263767 0.73 SCN1A (0.49) SMN1; SMN2CYP1A2CYP3A4CYP2C9TSHR

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-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed