SCHEMBL8823914

SCHEMBL8823914

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

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.78
CTSK P43235 11/20 0.75
CTSL P07711 5/20 0.70
CTSS P25774 3/20 0.70
CTSB P07858 3/20 0.70

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
SCHEMBL9338295 1.00 CAPN1 (0.78) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL2471949 1.00 CAPN1 (0.78) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL29308017 1.00 CAPN1 (0.78) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL8584264 0.95 CAPN1 (0.72) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL8585293 0.95 CAPN1 (0.72) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL8585289 0.93 CAPN1 (0.69) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL8584262 0.93 CAPN1 (0.69) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7612532 0.91 CTSK (0.71) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7612544 0.91 CTSK (0.71) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL8823936 0.91 CAPN1 (0.78) 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 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