SCHEMBL7954332

SCHEMBL7954332

CC(C)(C)OC(=O)NCCNC(Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.62
▸ CTSB P07858 4/20 0.62
▸ CTSK P43235 4/20 0.62
▸ PTPN1 P18031 2/20 0.54
▸ ACE P12821 6/20 0.48
▸ MME P08473 5/20 0.48
▸ CPA1 P15085 2/20 0.48
▸ ACE2 Q9BYF1 2/20 0.48
▸ CTSL P07711 2/20 0.47
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ KDM4A O75164 1/20 0.45
▸ PIN1 Q13526 2/20 0.44
▸ CA2 P00918 1/20 0.44

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
SCHEMBL7647888 1.00 CTSS (0.62) CTSSCTSBCTSKPTPN1ACE
SCHEMBL29397962 0.86 CTSS (0.74) CTSSCTSBCTSKPTPN1ACE
SCHEMBL29401906 0.86 CTSS (0.74) CTSSCTSBCTSKPTPN1ACE
SCHEMBL1519727 0.86 CTSS (0.74) CTSSCTSBCTSKPTPN1ACE
SCHEMBL1519731 0.86 CTSS (0.74) CTSSCTSBCTSKPTPN1ACE
SCHEMBL29436862 0.86 CTSS (0.74) CTSSCTSBCTSKPTPN1ACE
SCHEMBL3821361 0.86 CTSS (0.74) CTSSCTSBCTSKPTPN1ACE
SCHEMBL29481445 0.86 CTSS (0.74) CTSSCTSBCTSKPTPN1ACE
SCHEMBL6322819 0.84 CTSB (0.56) CTSSCTSBCTSKPTPN1ACE
SCHEMBL6318652 0.84 CTSB (0.56) CTSSCTSBCTSKPTPN1ACE

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
US-6274584-B1 PEPTIDE DERIVATIVES; BIOAVAILABILITY; ENZYME RESISTANCE; MILK AND WOOL PRODUCTION NOVO NORDISK A/S (DK) 2001-08-14 — — US disclosed
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