SCHEMBL25148113

SCHEMBL25148113

CC(C)(C)OC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.48
▸ CTSK P43235 3/20 0.48
▸ CTSB P07858 2/20 0.48
▸ CTSL P07711 1/20 0.48
▸ AKT1 P31749 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL18495625 0.98 CTSS (0.47) CTSSCTSKCTSBCTSLAKT1
SCHEMBL30597646 0.98 CTSS (0.47) CTSSCTSKCTSBCTSLAKT1
SCHEMBL30597634 0.98 CTSS (0.47) CTSSCTSKCTSBCTSLAKT1
SCHEMBL30722033 0.98 CTSS (0.47) CTSSCTSKCTSBCTSLAKT1
SCHEMBL27332954 0.98 CTSS (0.47) CTSSCTSKCTSBCTSLAKT1
SCHEMBL30597654 0.93 CTSS (0.54) CTSSCTSKCTSBCTSLAKT1
SCHEMBL31120787 0.92 REN (0.50) CTSBPTPN1
SCHEMBL31478692 0.89 KLK5 (0.46) CTSSCTSKCTSBCTSLMAPT
SCHEMBL20646383 0.89 KLK5 (0.46) CTSSCTSKCTSBCTSLMAPT
SCHEMBL17196273 0.89 KLK5 (0.46) CTSSCTSKCTSBCTSLMAPT

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
WO-2023061405-A1 HIGHLY-STABLE TARGETED LINKER-DRUG CONJUGATE 成都科岭源医药技术有限公司 2023-04-20 — — WO disclosed
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