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Sugi Predict / Compounds / SCHEMBL7514549

SCHEMBL7514549

SCHEMBL7514549

CC(C)C[C@H](NC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1)C(=O)N[C@H]1CCOC1O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 13/20 0.63
▸ CAPNS1 P04632 1/20 0.54
▸ CTSK P43235 7/20 0.52
▸ CTSL P07711 2/20 0.51
▸ CTSS P25774 2/20 0.51

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
SCHEMBL7514155 0.89 CAPN1 (0.59) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL27428998 0.89 CAPN1 (0.59) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL27428996 0.89 CAPN1 (0.59) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL3591988 0.88 CAPN1 (0.68) CAPN1CTSKCTSLCTSS
SCHEMBL8404288 0.88 CAPN1 (0.68) CAPN1CTSKCTSLCTSS
SCHEMBL8809563 0.85 CAPN1 (0.71) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL8809577 0.85 CAPN1 (0.71) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL7514555 0.81 CAPN1 (0.57) CAPN1CAPNS1
SCHEMBL8807777 0.80 CAPN1 (0.61) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL8807784 0.80 CAPN1 (0.61) CAPN1CAPNS1CTSKCTSLCTSS

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-0641800-B1 Lactol derivatives as inhibitors of cathepsin L TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-16 — — EP claimed
EP-0641800-B1 Lactol derivatives as inhibitors of cathepsin L TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-16 — — EP disclosed