SCHEMBL8703908

SCHEMBL8703908

[CH2]C(CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)N1CCCC1=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.56
▸ REN P00797 1/20 0.52
▸ CASP1 P29466 1/20 0.51
▸ CTSK P43235 11/20 0.51
▸ CTSL P07711 6/20 0.51
▸ HTRA1 Q92743 1/20 0.49
▸ CTSS P25774 2/20 0.49

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
SCHEMBL7312774 0.77 CAPN1 (0.69) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL7312791 0.77 CAPN1 (0.69) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL6828190 0.77 CAPN1 (0.72) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL7327426 0.77 CAPN1 (0.78) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL9828791 0.77 CAPN1 (0.78) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL27809377 0.77 CAPN1 (0.78) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL7300366 0.76 CAPN1 (0.60) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL7315481 0.76 CAPN1 (0.70) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL7315453 0.76 CAPN1 (0.70) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL20825246 0.76 CAPN1 (0.78) 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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