SCHEMBL28830644

SCHEMBL28830644

CCCOC(=O)C1CC(=O)C(C(=O)OCCC)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PPP1CC P36873 1/20 0.41
GLA P06280 1/20 0.39
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7823966 0.89 ALDH1A1 (0.45) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4682822 0.85 TSHR (0.47) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4683075 0.85 TSHR (0.47) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3196831 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTMEN1GAA
SCHEMBL8813353 0.83 CHRM2 (0.43) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL20263551 0.83 PPM1B (0.42) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL2568943 0.81 PPM1B (0.42) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL7823958 0.78 KDM4E (0.33) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL27746515 0.77 GAA (0.50) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL26679385 0.77 MAPK1 (0.44) ALDH1A1KDM4EMAPTPPM1BPTPN1

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-114956985-A Method for preparing 2, 5-dihydroxy terephthalic acid by oxygen oxidation 天津科技大学 2022-08-30 CN disclosed