SCHEMBL7846232

SCHEMBL7846232

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.64
CTSK P43235 8/20 0.63
CTSL P07711 7/20 0.63
CTSB P07858 4/20 0.61
CTSS P25774 3/20 0.61
HTRA1 Q92743 1/20 0.60
PTPN1 P18031 1/20 0.59

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
SCHEMBL7855985 0.89 CAPN1 (0.61) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7846358 0.89 CAPN1 (0.67) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7853467 0.89 CAPN1 (0.59) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7855929 0.89 HTRA1 (0.60) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7853389 0.89 CAPN1 (0.58) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL12242779 0.87 CTSK (0.75) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL22415806 0.87 CTSK (0.75) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL14415432 0.87 CTSK (0.75) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7853569 0.86 CAPN1 (0.56) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7854489 0.86 CAPN1 (0.58) CAPN1CTSKCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534530-B1 Administering (benzo)thiazole peptidomimetic as viricide; protease inhibitors AGOURON PHARMACEUTICALS, INC. 2003-03-18 US disclosed
US-6534530-B1 Administering (benzo)thiazole peptidomimetic as viricide; protease inhibitors AGOURON PHARMACEUTICALS, INC. 2003-03-18 US disclosed