SCHEMBL8406499

SCHEMBL8406499

CC(=O)O[C@@H]1OCC[C@@H]1NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.62
CTSL P07711 9/20 0.61
CTSS P25774 8/20 0.61
CTSB P07858 4/20 0.61
CAPN1 P07384 2/20 0.57
CAPNS1 P04632 1/20 0.55

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
SCHEMBL3577128 1.00 CTSK (0.62) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL7514109 1.00 CTSK (0.62) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL7525753 0.98 CTSK (0.61) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL7515987 0.95 CTSK (0.61) CTSKCTSLCTSSCTSB
SCHEMBL8811434 0.92 CAPN1 (0.52) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8811449 0.92 CAPN1 (0.52) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL3592461 0.91 CTSK (0.64) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL7514113 0.91 CTSK (0.59) CTSKCTSLCTSSCTSB
SCHEMBL4621195 0.89 CTSK (0.62) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL4622199 0.89 CTSK (0.62) CTSKCTSLCTSSCTSBCAPN1

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
EP-0925786-A1 REMEDIES FOR ISCHEMIC DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-06-30 EP disclosed
EP-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 EP disclosed