SCHEMBL7797044

SCHEMBL7797044

O=C(O)c1ccc(C(=O)O)c(CC(O)O)c1.O=C(O)c1ccc(C(=O)O)c(CCCC(O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ACE2 Q9BYF1 2/20 0.36
TSHR P16473 1/20 0.36
FOLH1 Q04609 5/20 0.35
RXRA P19793 2/20 0.35
MYC P01106 1/20 0.35
SLC16A3 O15427 2/20 0.33
PTPN1 P18031 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL3892702 0.94 GRIN2D (0.43) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL125462 0.87 KDM4E (0.46) KDM4EACE2TSHRFOLH1MYC
SCHEMBL7797041 0.86 GRIN2D (0.34) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL3897418 0.84 KDM4E (0.47) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL19817501 0.78 PLA2G4B (0.43) GRIN2DGRIN2AGRIN2BGRIN2CTSHR
SCHEMBL28422098 0.77 KDM4E (0.52) KDM4EACE2TSHRFOLH1MYC
SCHEMBL3342175 0.76 SLC16A3 (0.40) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL29751652 0.76 KDM4E (0.39) KDM4EACE2TSHRFOLH1
SCHEMBL11747617 0.76 SLC16A3 (0.40) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL5149350 0.74 KDM4E (0.43) KDM4EACE2TSHRMYCSLC16A3

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