SCHEMBL6263449

SCHEMBL6263449

O=C(O)CCC(OC(=O)C(O)C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 13/20 0.45
TET2 Q6N021 3/20 0.45
KDM4A O75164 2/20 0.45
KDM4C Q9H3R0 2/20 0.45
KDM2A Q9Y2K7 2/20 0.45
TET3 O43151 1/20 0.45
CYP1A2 P05177 2/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GSR P00390 1/20 0.39
GRIK1 P39086 1/20 0.39
GRM5 P41594 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39

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
SCHEMBL465915 0.84 TET2 (0.56) FOLH1TET2KDM4AKDM4CKDM2A
SCHEMBL1258716 0.84 TET2 (0.56) FOLH1TET2KDM4AKDM4CKDM2A
SCHEMBL7761684 0.75 FOLH1 (0.47) FOLH1TET2KDM4AKDM4CKDM2A
SCHEMBL28897504 0.75 FOLH1 (0.51) FOLH1TET2KDM4AKDM4CKDM2A
SCHEMBL19606545 0.74 FOLH1 (0.44) FOLH1TET2KDM4AKDM4CKDM2A
SCHEMBL28969462 0.73 CYP1A2 (0.54) FOLH1TET2KDM4AKDM4CKDM2A
SCHEMBL7607248 0.73 FOLH1 (0.43) FOLH1TET2KDM4AKDM4CKDM2A
SCHEMBL14508863 0.72 FOLH1 (0.45) FOLH1TET2KDM4AKDM4CKDM2A
SCHEMBL17165688 0.72 FOLH1 (0.45) FOLH1TET2KDM4AKDM4CKDM2A
SCHEMBL30424773 0.72 FOLH1 (0.49) FOLH1CYP1A2GRM8GRM6GRIN2D

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
EP-1587920-A1 MALATE DEHYDROGENASE AS A TARGET FOR HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2005-10-26 EP disclosed
WO-2004058956-A1 MALATE DEHYDROGENASE AS A TARGET FOR HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-07-15 WO disclosed