SCHEMBL17350671

SCHEMBL17350671

COC(=O)[C@@H]1CC(O)CN1C(=O)[C@H](CC(C)C)NC(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.40
▸ CTSL P07711 6/20 0.39
▸ CTSS P25774 4/20 0.39
▸ VHL P40337 3/20 0.37
▸ CTSB P07858 3/20 0.36
▸ PEPD P12955 2/20 0.35
▸ XPNPEP1 Q9NQW7 1/20 0.35

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
SCHEMBL17350419 0.92 CTSK (0.41) CTSKCTSLCTSSVHLCTSB
SCHEMBL4249275 0.85 POLB (0.42) VHL
SCHEMBL4249279 0.85 POLB (0.42) VHL
SCHEMBL15966524 0.81 PTPN1 (0.42) CTSK
SCHEMBL30460474 0.79 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL2234378 0.79 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL31005798 0.79 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL22804081 0.79 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL27718876 0.79 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL5205819 0.79 CYP3A4 (0.38) CTSLCTSSVHLCTSB

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-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
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