SCHEMBL8823885

SCHEMBL8823885

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(O)COc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 16/20 0.67
▸ CTSS P25774 10/20 0.67
▸ CTSL P07711 3/20 0.60
▸ CTSB P07858 1/20 0.60
▸ ITGB3 P05106 1/20 0.56
▸ ITGA2B P08514 1/20 0.56
▸ CAPN1 P07384 1/20 0.54
▸ CAPN2 P17655 1/20 0.54

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
SCHEMBL8823927 0.98 CTSK (0.65) CTSKCTSSCTSLCTSBITGB3
SCHEMBL7164038 0.84 CTSK (0.62) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823902 0.83 CTSK (0.68) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7167212 0.83 CTSK (0.69) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL27575296 0.83 CTSK (0.69) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL27575295 0.83 CTSK (0.69) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823896 0.82 CTSK (0.66) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7611750 0.82 CTSK (0.67) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823904 0.81 CTSK (0.65) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7816028 0.79 CA5A (0.56) 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
WO-1997049668-A1 INHIBITIORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 — — WO disclosed
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