SCHEMBL28346102

SCHEMBL28346102

CC(=O)NC(CC(N)=O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRAT P43155 1/20 0.39
GNPAT O15228 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ECE1 P42892 3/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5199541 1.00 CRAT (0.39) CRATGNPATKDM4EMAPTTHRB
SCHEMBL5199870 1.00 CRAT (0.39) CRATGNPATKDM4EMAPTTHRB
SCHEMBL10936490 0.89 CRAT (0.45) CRATGNPATKDM4EMAPTTHRB
SCHEMBL10940119 0.81 GABRR1 (0.43) CRATGNPATKDM4EMAPTTHRB
SCHEMBL13851760 0.78 ANPEP (0.41) MAPTSMN1; SMN2ECE1GABRR1LMNA
SCHEMBL17911703 0.78 ANPEP (0.41) MAPTSMN1; SMN2ECE1GABRR1LMNA
SCHEMBL805253 0.78 ANPEP (0.41) MAPTSMN1; SMN2ECE1GABRR1LMNA
SCHEMBL7731906 0.78 CRAT (0.41) CRATGNPATKDM4EMAPTTHRB
SCHEMBL1144276 0.78 CRAT (0.41) CRATGNPATKDM4EMAPTTHRB
SCHEMBL1144295 0.78 CRAT (0.41) CRATGNPATKDM4EMAPTTHRB

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-110684699-A Cellulosimicrobium cellulans DGNK-JJ1 and application thereof 东莞市农业科学研究中心 2020-01-14 CN disclosed