SCHEMBL7797041

SCHEMBL7797041

O=C(O)c1ccc(C(=O)O)c(CC(O)OC(=O)c2ccc(C(=O)O)cc2CCCC(O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ACE2 Q9BYF1 2/20 0.32
ALDH1A1 P00352 1/20 0.31
ADRB3 P13945 1/20 0.31
TSHR P16473 1/20 0.31
MYC P01106 1/20 0.30
PTPN11 Q06124 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
SCHEMBL7797044 0.86 GRIN2D (0.40) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL3892702 0.85 GRIN2D (0.43) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL3897418 0.77 KDM4E (0.47) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL125462 0.73 KDM4E (0.46) KDM4EACE2ALDH1A1TSHRMYC
SCHEMBL29751652 0.72 KDM4E (0.39) KDM4EACE2ALDH1A1TSHR
SCHEMBL19817501 0.71 PLA2G4B (0.43) GRIN2DGRIN2AGRIN2BGRIN2CTSHR
SCHEMBL28422098 0.70 KDM4E (0.52) KDM4EACE2ALDH1A1TSHRMYC
SCHEMBL6577941 0.70 MAPT (0.40) KDM4EACE2ALDH1A1ADRB3TSHR
SCHEMBL27968721 0.69 PRKCA (0.45) ALDH1A1TSHRPTPN11
SCHEMBL27353699 0.69 ALDH1A1 (0.44) KDM4EACE2ALDH1A1TSHR

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-0747323-B1 Intercalates; exfoliates; process for manufacturing intercalates and exfoliates and composite materials containing same AMCOL INTERNATIONAL CORP (US) 2001-12-12 EP claimed