SCHEMBL8710241

SCHEMBL8710241

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)COP(=O)(OCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.61
▸ CTSK P43235 10/20 0.58
▸ CTSL P07711 5/20 0.57
▸ MME P08473 1/20 0.55
▸ ECE1 P42892 1/20 0.55
▸ HTRA1 Q92743 1/20 0.55
▸ CTSS P25774 2/20 0.55
▸ CTSB P07858 2/20 0.55

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
Hydrochloric Acid SCHEMBL6828093 0.99 CAPN1 (0.60) CAPN1CTSKCTSLMMEECE1
SCHEMBL8710235 0.91 CAPN1 (0.60) CAPN1CTSKCTSLMMEECE1
Hydrochloric Acid SCHEMBL6828092 0.91 CAPN1 (0.59) CAPN1CTSKCTSLMMEECE1
SCHEMBL6828120 0.90 CAPN1 (0.63) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL6825605 0.90 CAPN1 (0.63) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL6828393 0.90 CAPN1 (0.63) CAPN1CTSKCTSLMMEECE1
SCHEMBL8916002 0.89 CAPN1 (0.62) CAPN1CTSKCTSLMMEECE1
SCHEMBL6828119 0.89 CAPN1 (0.62) CAPN1CTSKCTSLMMEECE1
SCHEMBL6825259 0.87 CAPN1 (0.59) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL6828270 0.86 CTSK (0.49) CAPN1CTSKCTSLHTRA1CTSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871454-A4 — — 1998-11-25 — — EP disclosed
EP-0871454-A1 PHOSPHOROUS-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON, INC. (US) 1998-10-21 — — EP disclosed
WO-1997003679-A1 PHOSPHOROUS-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON, INC. (US) 1997-02-06 — — WO disclosed
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