SCHEMBL8513310

SCHEMBL8513310

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.39
CPB2 Q96IY4 4/20 0.37
RNPEP Q9H4A4 1/20 0.34
GABRR1 P24046 2/20 0.33
GLO1 Q04760 1/20 0.33
SLC7A5 Q01650 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
GRIK1 P39086 3/20 0.30
GRIK2 Q13002 3/20 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
SCHEMBL28130520 0.79 CPB2 (0.41) GSRCPB2RNPEPGABRR1
SCHEMBL7271506 0.78 GSR (0.50) GSRCPB2RNPEPGABRR1GLO1
SCHEMBL5280980 0.78 GSR (0.50) GSRCPB2RNPEPGABRR1GLO1
SCHEMBL28011992 0.77 GSR (0.45) GSRCPB2RNPEPGABRR1GLO1
SCHEMBL482963 0.74 CPB2 (0.44) GSRCPB2RNPEPGABRR1GLO1
SCHEMBL482961 0.74 CPB2 (0.44) GSRCPB2RNPEPGABRR1GLO1
SCHEMBL28131142 0.74 GSR (0.47) GSRCPB2RNPEPGABRR1
SCHEMBL28131140 0.72 GSR (0.46) GSRCPB2RNPEPGABRR1
SCHEMBL28130420 0.72 GSR (0.46) GSRCPB2RNPEPGABRR1
SCHEMBL28131214 0.72 GSR (0.46) GSRCPB2RNPEPGABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10908169-B2 Reagents and methods for detecting protein crotonylation PTM BIO LLC (US) 2021-02-02 US disclosed
US-20190137512-A1 REAGENTS AND METHODS FOR DETECTING PROTEIN CROTONYLATION PTM BIO LLC (US) 2019-05-09 US disclosed
US-9625467-B2 Agent and method for identifying lysine crotonylation in proteins PTM BIO LLC (US) 2017-04-18 US disclosed
CN-103183725-B Method for detecting protein lysine crotonyl acylation modification and developing affinity reagent 杭州景杰生物科技有限公司 2016-06-08 CN disclosed
US-20150065385-A1 REAGENTS AND METHODS FOR DETECTING PROTEIN CROTONYLATION PTM BIOLABS, INC. (US) 2015-03-05 US disclosed
US-20130224880-A1 REAGENTS AND METHODS FOR DETECTING PROTEIN CROTONYLATION PTM BIOLABS, INC. (US) 2013-08-29 US disclosed
EP-2610266-A1 Reagents and methods for detecting protein crotonylation PTM Biolabs, Inc. (US) 2013-07-03 EP disclosed
CN-103183725-A A method of detecting protein lysine crotonylation acylation modification and developing affinity reagents PTM BIOLABS INC 2013-07-03 CN disclosed
US-20120135538-A1 AGENT AND METHOD FOR IDENTIFYING LYSINE CROTONYLATION IN PROTEINS PTM BIO LLC 2012-05-31 US disclosed