SCHEMBL19400126

SCHEMBL19400126

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.56
CTSL P07711 7/20 0.56
CTSS P25774 5/20 0.56
CTSB P07858 5/20 0.56
PSMB1 P20618 1/20 0.52
PSMB5 P28074 1/20 0.52
PSMB2 P49721 1/20 0.52

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
SCHEMBL26910148 1.00 CTSK (0.56) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL28288627 1.00 CTSK (0.56) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL20770089 0.86 CTSK (0.58) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL724546 0.85 CTSK (0.46) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL1014662 0.84 CTSB (0.44) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL17596884 0.81 CTSK (0.55) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL160926 0.81 CTSK (0.55) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL28045793 0.81 CTSK (0.55) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL7160782 0.80 CTSK (0.63) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL27511368 0.80 CTSK (0.63) CTSKCTSLCTSSCTSBPSMB1

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
US-20210046183-A1 COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF IMMUNE COMPLEX DISEASE COWAN FRED M (US) 2021-02-18 US disclosed
US-9775842-B2 Nanocarriers and their processing for diagnostics and therapeutics RHODE ISLAND HOSPITAL (US) 2017-10-03 US disclosed
CN-102724975-B IRE-1 alpha inhibitors MANNKIND CORP. (US) 2015-12-02 CN disclosed