SCHEMBL8585293

SCHEMBL8585293

CC(=O)Br.CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.72
CTSK P43235 12/20 0.69
CTSL P07711 7/20 0.65
CTSS P25774 3/20 0.65
CTSB P07858 3/20 0.65

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
SCHEMBL2471949 0.95 CAPN1 (0.78) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL8823914 0.95 CAPN1 (0.78) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL9338295 0.95 CAPN1 (0.78) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL29308017 0.95 CAPN1 (0.78) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL8584264 0.93 CAPN1 (0.72) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7326845 0.92 CTSK (0.70) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL8585289 0.91 CAPN1 (0.69) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7316923 0.89 CAPN1 (0.67) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7322756 0.89 CAPN1 (0.67) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7318823 0.89 CTSK (0.69) CAPN1CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840614-A1 CALPAIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI WINTHROP, INC. (US) 1998-05-13 EP claimed
WO-1996041638-A1 CALPAIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI WINTHROP, INC. (US) 1996-12-27 WO claimed
EP-0840614-A1 CALPAIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI WINTHROP, INC. (US) 1998-05-13 EP disclosed
WO-1996041638-A1 CALPAIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI WINTHROP, INC. (US) 1996-12-27 WO disclosed