SCHEMBL26019657

SCHEMBL26019657

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 11/20 0.40
▸ CTSB P07858 2/20 0.40
▸ CTSK P43235 2/20 0.40
▸ CTSL P07711 2/20 0.40
▸ CTSH P09668 1/20 0.40
▸ CTSC P53634 1/20 0.40
▸ APLNR P35414 1/20 0.37
▸ PSMB11 A5LHX3 1/20 0.37
▸ PSMA7 O14818 1/20 0.37
▸ PSMB1 P20618 1/20 0.37
▸ PSMA1 P25786 1/20 0.37
▸ PSMA2 P25787 1/20 0.37
▸ PSMA3 P25788 1/20 0.37
▸ PSMA4 P25789 1/20 0.37
▸ PSMB8 P28062 1/20 0.37
▸ PSMB9 P28065 1/20 0.37
▸ PSMA5 P28066 1/20 0.37
▸ PSMB4 P28070 1/20 0.37
▸ PSMB6 P28072 1/20 0.37
▸ PSMB5 P28074 1/20 0.37

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
SCHEMBL22387819 0.91 CTSS (0.40) CTSSCTSBCTSKCTSLCTSH
SCHEMBL30069324 0.88 NTSR2 (0.37) CTSSCTSBCTSKCTSLAPLNR
SCHEMBL2623712 0.87 APLNR (0.40) CTSSCTSBCTSKCTSLCTSH
SCHEMBL15745525 0.82 APLNR (0.36) CTSSCTSKCTSLCTSHAPLNR
SCHEMBL15744687 0.81 APLNR (0.40) CTSSAPLNRPSMB11PSMA7PSMB1
SCHEMBL29380915 0.81 OPRK1 (0.41) OPRK1NTSR2NTSR1
SCHEMBL30069323 0.81 OPRK1 (0.41) OPRK1NTSR2NTSR1
SCHEMBL15745544 0.80 CRHR1 (0.37) APLNR
SCHEMBL29398799 0.80 CCNA2 (0.44) OPRK1NTSR2NTSR1
SCHEMBL15744682 0.79 MMP3 (0.40) CTSSCTSBCTSKCTSLCTSH

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
EP-3630742-B1 CHEMILUMINESCENT PROBES FOR IMAGING/DETECTION OF PROTEASES UNIV RAMOT (IL) 2023-08-16 — — EP disclosed
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