SCHEMBL7823958

SCHEMBL7823958

O=C1CC(C(=O)OCCCO)C(=O)CC1C(=O)OCCCO

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRM2 P08172 5/20 0.32
CHRM4 P08173 5/20 0.32
CHRM5 P08912 5/20 0.32
CHRM1 P11229 5/20 0.32
CHRM3 P20309 5/20 0.32
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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 0.83 ALDH1A1 (0.45) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL4682822 0.80 TSHR (0.47) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4683075 0.80 TSHR (0.47) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL28830644 0.78 CHRM1 (0.42) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL8813353 0.78 CHRM2 (0.43) KDM4EALDH1A1HPGDKMT2ACHRM2
SCHEMBL27513785 0.77 KDM4E (0.31) KDM4EALDH1A1KMT2A
SCHEMBL3196831 0.74 ALDH1A1 (0.56) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL15188526 0.71
SCHEMBL14521704 0.69 PRKCA (0.38)
SCHEMBL4033195 0.69 CYP3A4 (0.39) KDM4EMEN1ALDH1A1GAAMAPT

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
EP-0679640-B1 Carboxylate and heat-sensitive recording material using same MITSUI CHEMICALS INC (JP) 2001-08-08 EP disclosed