SCHEMBL27596158

SCHEMBL27596158

CC(C)CC(CC(C)C(=O)O)[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.48
RNPEP Q9H4A4 1/20 0.39
SLC7A5 Q01650 1/20 0.39
FOLH1 Q04609 2/20 0.38
NAALAD2 Q9Y3Q0 2/20 0.38
ENPEP Q07075 2/20 0.38
GABRR1 P24046 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 3/20 0.34
BLM P54132 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8370934 0.77 CPA1 (0.44) CPA1RNPEPSLC7A5FOLH1NAALAD2
SCHEMBL2601836 0.75
SCHEMBL4662945 0.75
SCHEMBL275848 0.75
Phosphine SCHEMBL27416822 0.73 RNPEP (0.52) CPA1RNPEPSLC7A5FOLH1NAALAD2
SCHEMBL722858 0.72 CPA1 (0.53) CPA1RNPEPSLC7A5ALDH1A1SLC1A3
SCHEMBL21258195 0.70 MME (0.56)
SCHEMBL7314519 0.69 NAALAD2 (0.56) RNPEPSLC7A5FOLH1NAALAD2ENPEP
SCHEMBL443229 0.69 NAALAD2 (0.56) RNPEPSLC7A5FOLH1NAALAD2ENPEP
SCHEMBL10938417 0.69 NAALAD2 (0.56) RNPEPSLC7A5FOLH1NAALAD2ENPEP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519505-C Methods for producing substituted acrylic acid esters and use of the latter for producing substituted dollar gamma-amino acids GRUENENTHAL GMBH (DE) 2009-07-29 CN disclosed
CN-1642899-A Methods for producing substituted acrylic acid esters and use of the latter for producing substituted dollar G(G)-amino acids GRUENENTHAL GMBH (DE) 2005-07-20 CN disclosed