SCHEMBL28629924

SCHEMBL28629924

CC(C(=O)ONCC(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.46
LMNA P02545 4/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
USP2 O75604 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL311575 0.81 LMNA (0.55) LMNAALDH1A1KMT2AKDM4EMEN1
SCHEMBL312623 0.81 LMNA (0.55) LMNAALDH1A1KMT2AKDM4EMEN1
SCHEMBL22408858 0.81 LMNA (0.49) PTPRCLMNAALDH1A1KMT2AKDM4E
SCHEMBL22408859 0.81 LMNA (0.49) PTPRCLMNAALDH1A1KMT2AKDM4E
SCHEMBL28629921 0.77 HPGD (0.49) PTPRCALDH1A1KMT2AMEN1POLB
SCHEMBL5839153 0.74 LMNA (0.60) LMNAALDH1A1KMT2AKDM4EMEN1
SCHEMBL29037242 0.73 PTPRC (0.50) PTPRCLMNAALDH1A1KMT2AKDM4E
SCHEMBL542373 0.72 TP53 (0.55) LMNAALDH1A1KMT2AKDM4EHTT
SCHEMBL31483318 0.71 ALDH1A1 (0.60) LMNAALDH1A1KMT2AKDM4EMEN1
SCHEMBL917955 0.71 ALDH1A1 (0.60) LMNAALDH1A1KMT2AKDM4EMEN1

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-113454058-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound comprising the same, and method for producing the same 中外制药株式会社 2021-09-28 CN disclosed