SCHEMBL9800958

SCHEMBL9800958

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.39
KDM4A O75164 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
TET3 O43151 1/20 0.39
FOLH1 Q04609 4/20 0.38
CYP1A2 P05177 2/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38

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
SCHEMBL9800955 0.86 TET2 (0.39) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL21828708 0.74 FOLH1 (0.38) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL2044547 0.72 MAPT (0.47) KDM2ACYP1A2GABRPGABRDGABRA1
Succinic Acid SCHEMBL7186929 0.71 LMNA (0.45) TET2KDM4AKDM4CKDM2AFOLH1
SCHEMBL18774753 0.71 ANPEP (0.35) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL542358 0.70 MAPT (0.53) KDM2ACYP1A2LMNAMAPTALKBH5
SCHEMBL8398545 0.70 MAPT (0.58) CYP1A2LMNATSHRHIF1AMAPT
SCHEMBL16829861 0.68 MAPT (0.56) LMNAMAPT
Water SCHEMBL9474377 0.68 MAPT (0.52) KDM2ACYP1A2LMNAMAPTALKBH5
Glutarate SCHEMBL7174556 0.68 SLC22A6 (0.50) FOLH1CYP1A2GABRPGABRDGABRA1

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
JP-3095175-A None JP disclosed
JP-H0395175-A NOVEL CARBOXYLIC ACID AND TOBACCO FLAVOR-AND-TASTE IMPROVER THEREFROM JAPAN TOBACCO INC 1991-04-19 JP disclosed