SCHEMBL28583285

SCHEMBL28583285

CC(C)(C)OC(=O)n1c2ccccc2c2cc(C(=O)O)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
CNR2 P34972 2/20 0.49
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
NR1H2 P55055 3/20 0.43
GABRA1 P14867 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRA6 Q16445 1/20 0.43
LMNA P02545 2/20 0.43
PTGER4 P35408 2/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL16064638 0.87 CNR2 (0.47) KDM4EALDH1A1CNR2CHRM2CHRM4
SCHEMBL13696680 0.85 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL30022454 0.85 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL27985045 0.83 CHRM2 (0.50) KDM4EHPGDCNR2CHRM2CHRM4
SCHEMBL15280123 0.83 CHRM2 (0.50) CNR2CHRM2CHRM4CHRM1CHRM3
SCHEMBL28632028 0.82 GABRG2 (0.65) CNR2CHRM2CHRM4CHRM1CHRM3
SCHEMBL13932559 0.82 CHRM2 (0.49) CNR2CHRM2CHRM4CHRM1CHRM3
SCHEMBL6483062 0.82 CHRM2 (0.49) KDM4EALDH1A1HPGDCNR2CHRM2
SCHEMBL802084 0.82 CDK1 (0.54) CNR2CHRM2CHRM4CHRM1CHRM3
SCHEMBL29357718 0.82 CDK1 (0.54) CNR2CHRM2CHRM4CHRM1CHRM3

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
CN-111254457-B Electrochemical synthesis method of aromatic carboxylic acid and alkyl carboxylic acid 四川大学 2021-05-11 CN disclosed
CN-111254457-A Electrochemical synthesis method of aromatic carboxylic acid and alkyl carboxylic acid 四川大学 2020-06-09 CN disclosed