SCHEMBL28533912

SCHEMBL28533912

[CH2]C[C@H](CCC(=O)O)OC(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.35
KDM4A O75164 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
TET3 O43151 1/20 0.35
CYP2D6 P10635 2/20 0.35
NFKB1 P19838 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
BLM P54132 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
FOLH1 Q04609 5/20 0.34
CYP1A2 P05177 2/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34

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
SCHEMBL11734965 0.76 AKR1B1 (0.42) MEN1TSHRKMT2A
SCHEMBL653330 0.75 GABRP (0.41) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL28052096 0.73 GABRP (0.45) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL28526666 0.64
SCHEMBL8015406 0.64
SCHEMBL9800955 0.64 TET2 (0.39) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL9800958 0.64 TET2 (0.39) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL6841475 0.63
SCHEMBL8055213 0.63
SCHEMBL2206051 0.63

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
CN-112367987-A Active agents and methods for their use in treating metabolic disorders and non-alcoholic fatty liver disease 旗舰创业创新五公司 2021-02-12 CN disclosed