SCHEMBL14479042

SCHEMBL14479042

COC(=O)CCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(C)(C)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 7/20 0.54
▸ CTSG P08311 7/20 0.54
▸ CTRB1 P17538 7/20 0.54
▸ CMA1 P23946 7/20 0.54
▸ CTSL P07711 5/20 0.52
▸ CTSS P25774 2/20 0.50
▸ CTSK P43235 2/20 0.50
▸ PSMB5 P28074 2/20 0.48
▸ GPR139 Q6DWJ6 1/20 0.47
▸ CTSB P07858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL14479055 0.82 CTSL (0.51) CTSGCTRB1CTSLCTSSCTSK
SCHEMBL14479056 0.82 CTSL (0.56) CTSLCTSSCTSKPSMB5GPR139
SCHEMBL14479041 0.81 CTSL (0.52) CTSGCTRB1CTSLCTSSCTSK
SCHEMBL13673291 0.78 CTSL (0.58) CTSGCTRB1CTSLCTSSCTSK
SCHEMBL11276525 0.76 ACE (0.68) CTSLCTSSCTSK
SCHEMBL13669573 0.75 GAA (0.69) CTSLCTSSCTSKPSMB5GPR139
SCHEMBL4369272 0.75 GAA (0.69) CTSLCTSSCTSKPSMB5GPR139
SCHEMBL13673427 0.73 CTSL (0.60) CTRB1CTSLCTSSCTSKPSMB5
SCHEMBL16694897 0.73 PSMB5 (0.61) CTSLCTSSCTSKPSMB5GPR139
SCHEMBL16694898 0.73 PSMB5 (0.61) CTSLCTSSCTSKPSMB5GPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2957555-A1 METHOD FOR MODIFYING DERIVATIVES OF AMINO ACIDS AND PEPTIDES, COMPOUNDS PRODUCED, AND USE Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2015-12-23 — — EP disclosed
WO-2014125145-A1 METHOD FOR MODIFYING DERIVATIVES OF AMINO ACIDS AND PEPTIDES, COMPOUNDS PRODUCED, AND USE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2014-08-21 — — WO disclosed
WO-2013001120-A1 CHEMICAL PROCESS FOR THE SELECTIVE MODIFICATION OF PEPTIDES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2013-01-03 — — WO disclosed
Send feedback