SCHEMBL30645307

SCHEMBL30645307

CC(C)(C)CN[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.42
ITGB2 P05107 2/20 0.37
ICAM1 P05362 2/20 0.37
ITGAL P20701 2/20 0.37
CA2 P00918 5/20 0.36
CA1 P00915 4/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TGFBR1 P36897 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL30645302 1.00 ECE1 (0.42) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL7348175 0.86 ECE1 (0.39) ECE1
SCHEMBL7350029 0.86 ECE1 (0.39) ECE1
SCHEMBL6156040 0.81 ECE1 (0.41) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL23052779 0.78 TGFBR1 (0.42) ALDH1A1MEN1KMT2ATGFBR1KDM4E
SCHEMBL14926737 0.78 CA2 (0.34) CA2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL21451274 0.78 TGFBR1 (0.42) ALDH1A1MEN1KMT2ATGFBR1KDM4E
SCHEMBL21451319 0.78 TGFBR1 (0.42) ALDH1A1MEN1KMT2ATGFBR1KDM4E
SCHEMBL88480 0.78 ECE1 (0.46) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL88481 0.78 ECE1 (0.46) ECE1ITGB2ICAM1ITGALCA2

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-117186174-A Tripeptide compound, preparation method and application thereof 浙大城市学院 2023-12-08 CN disclosed