SCHEMBL16830737

SCHEMBL16830737

CC(C)(C)OC(=O)NCCCC(NC(=O)OC(C)(C)C)C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 8/20 0.53
CAPN1 P07384 1/20 0.50
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SIRT5 Q9NXA8 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
SIRT2 Q8IXJ6 2/20 0.40

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
SCHEMBL18186791 0.92 CAPN1 (0.50) GLP1RCAPN1CTSSCTSKMEN1
SCHEMBL16830739 0.92 CAPN1 (0.50) GLP1RCAPN1CTSSCTSKMEN1
SCHEMBL25067302 0.92 CAPN1 (0.50) GLP1RCAPN1CTSSCTSKMEN1
SCHEMBL23475959 0.92 CAPN1 (0.50) GLP1RCAPN1CTSSCTSKMEN1
SCHEMBL20341078 0.92 GLP1R (0.58) GLP1RCAPN1CTSSCTSKMEN1
SCHEMBL23475892 0.92 CAPN1 (0.50) GLP1RCAPN1CTSSCTSKMEN1
SCHEMBL23475977 0.92 CAPN1 (0.50) GLP1RCAPN1CTSSCTSKMEN1
SCHEMBL16853275 0.92 GLP1R (0.58) GLP1RCAPN1CTSSCTSKMEN1
SCHEMBL19820011 0.91 CAPN1 (0.55) GLP1RCAPN1CTSSCTSKMEN1
SCHEMBL23475929 0.90 GLP1R (0.56) GLP1RCAPN1CTSSCTSKMEN1

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
EP-3082797-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF The California Institute for Biomedical Research (US) 2016-10-26 EP disclosed
WO-2015095406-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-06-25 WO disclosed