SCHEMBL20216484

SCHEMBL20216484

CC(C)(C)OC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.63
CTSK P43235 9/20 0.63
CTSB P07858 4/20 0.63
CTSL P07711 2/20 0.63
AKT1 P31749 1/20 0.55
ACE P12821 1/20 0.55
KLK5 Q9Y337 1/20 0.51
REN P00797 1/20 0.51
PSMB1 P20618 1/20 0.51
PSMB8 P28062 1/20 0.51
PSMB9 P28065 1/20 0.51
PSMB5 P28074 1/20 0.51
PSMB10 P40306 1/20 0.51
PSMB2 P49721 1/20 0.51
OPRD1 P41143 2/20 0.50
PTPN1 P18031 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50

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
SCHEMBL20030538 1.00 CTSS (0.63) CTSSCTSKCTSBCTSLAKT1
SCHEMBL31364171 0.98 CTSS (0.60) CTSSCTSKCTSBCTSLAKT1
SCHEMBL16983230 0.98 CTSS (0.60) CTSSCTSKCTSBCTSLAKT1
SCHEMBL24094584 0.98 CTSS (0.60) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6047666 0.98 CTSS (0.60) CTSSCTSKCTSBCTSLAKT1
SCHEMBL30692461 0.92 REN (0.64) CTSSCTSKCTSBCTSLREN
SCHEMBL22300786 0.92 REN (0.64) CTSSCTSKCTSBCTSLREN
SCHEMBL2793925 0.90 CTSS (0.76) CTSSCTSKCTSBCTSLAKT1
SCHEMBL1001781 0.90 CTSS (0.76) CTSSCTSKCTSBCTSLAKT1
SCHEMBL31364169 0.90 CTSS (0.59) CTSSCTSKCTSBCTSLAKT1

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
CN-119176852-A Preparation method of amino acid with protection tetrapeptide 四川鸿日医药科技有限公司 2024-12-24 CN disclosed
CN-115960111-A Antibody-drug conjugates 第一三共株式会社 2023-04-14 CN disclosed
US-9988408-B2 Cytotoxic agents for conjugation to a cell binding molecule HANGZHOU DAC BIOTECH CO., LTD. (CN) 2018-06-05 US disclosed