SCHEMBL21246763

SCHEMBL21246763

CCC(O)C(=O)N(C(=O)C1CCCN1)C(CCC(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.33
SCN4A P35499 1/20 0.33
PRCP P42785 2/20 0.32
TET2 Q6N021 3/20 0.30
KDM4A O75164 2/20 0.30
KDM4C Q9H3R0 2/20 0.30
KDM2A Q9Y2K7 2/20 0.30
TET3 O43151 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
SCHEMBL28539257 0.81 SCN4A (0.33) DPP7SCN4A
SCHEMBL8720607 0.81 SLC7A5 (0.33) SCN4A
SCHEMBL15024073 0.80 NOS2 (0.33) DPP7SCN4A
SCHEMBL15663464 0.79 SCN4A (0.40) DPP7SCN4APRCP
SCHEMBL2083660 0.76
SCHEMBL2183860 0.73 REN (0.33) DPP7SCN4APRCP
Proline SCHEMBL15324188 0.71 PRCP (0.36) DPP7PRCPTET2KDM4AKDM4C
Succinic Acid SCHEMBL15324191 0.71 PRCP (0.36) DPP7PRCPTET2KDM4AKDM4C
SCHEMBL28542946 0.70 DPP4 (0.32) DPP7
SCHEMBL1371506 0.70 SCN4A (0.38) DPP7SCN4APRCP

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
WO-2019104851-A4 BETA-HYDROXYBUTYRYL-AMINO ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 刘成 2019-08-15 WO disclosed