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SCHEMBL8407706

SCHEMBL8407706

Cc1ccc(COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CCOC2O)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 11/20 0.66
▸ CTSK P43235 9/20 0.55
▸ CTSL P07711 3/20 0.54
▸ CTSS P25774 2/20 0.54
▸ CAPNS1 P04632 2/20 0.50

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
SCHEMBL8407712 1.00 CAPN1 (0.66) CAPN1CTSKCTSLCTSSCAPNS1
SCHEMBL8811005 0.91 CAPN1 (0.66) CAPN1CTSKCTSLCTSSCAPNS1
SCHEMBL8808867 0.91 CAPN1 (0.56) CAPN1CTSKCTSLCTSSCAPNS1
SCHEMBL8808875 0.91 CAPN1 (0.56) CAPN1CTSKCTSLCTSSCAPNS1
SCHEMBL8810998 0.91 CAPN1 (0.66) CAPN1CTSKCTSLCTSSCAPNS1
SCHEMBL3591988 0.91 CAPN1 (0.68) CAPN1CTSKCTSLCTSS
SCHEMBL8404288 0.91 CAPN1 (0.68) CAPN1CTSKCTSLCTSS
SCHEMBL8809740 0.90 CAPN1 (0.68) CAPN1CTSKCTSLCTSSCAPNS1
SCHEMBL8809749 0.90 CAPN1 (0.68) CAPN1CTSKCTSLCTSSCAPNS1
SCHEMBL8811449 0.87 CAPN1 (0.52) CAPN1CTSKCTSLCTSSCAPNS1

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