SCHEMBL10718387

SCHEMBL10718387

COC(=O)C[PH](=O)OC(CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.54
▸ CTSS P25774 3/20 0.51
▸ CTSL P07711 3/20 0.51
▸ CTSB P07858 2/20 0.51
▸ ATM Q13315 1/20 0.47
▸ CAPN1 P07384 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ REN P00797 1/20 0.46

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
SCHEMBL10718604 0.82 CTSK (0.52) CTSKCTSSCTSLCTSBREN
SCHEMBL10985008 0.78 CTSK (0.58) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL10985006 0.78 CTSK (0.58) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9312050 0.77 ELANE (0.50) CTSKCTSSCTSLCTSBATM
SCHEMBL6841176 0.76 CTSK (0.67) CTSKCTSSCTSLCTSBATM
SCHEMBL27926954 0.76 CTSK (0.67) CTSKCTSSCTSLCTSBATM
SCHEMBL7422252 0.76 CTSK (0.67) CTSKCTSSCTSLCTSBATM
SCHEMBL3978105 0.76 CTSK (0.74) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL13611959 0.76 CTSK (0.74) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL14609392 0.76 CTSK (0.74) CTSKCTSSCTSLCTSBCAPN1

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-0210545-A2 Phosphorous containing enzyme inhibitors MERCK & CO. INC. (US) 1987-02-04 — — EP disclosed
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