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SCHEMBL11063602

SCHEMBL11063602

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

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 10/20 0.67
▸ CTSK P43235 7/20 0.61
▸ CTSL P07711 4/20 0.58
▸ CTSB P07858 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ CTSG P08311 1/20 0.58
▸ CTSS P25774 5/20 0.56
▸ CAPN2 P17655 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
SCHEMBL11065437 0.96 CAPN1 (0.68) CAPN1CTSKCTSLCTSBLMNA
SCHEMBL11069035 0.95 CAPN1 (0.67) CAPN1CTSKCTSLCTSBLMNA
SCHEMBL11063698 0.95 CAPN1 (0.67) CAPN1CTSKCTSLCTSBLMNA
SCHEMBL11189319 0.92 CAPN1 (0.67) CAPN1CTSKCTSLCTSBLMNA
SCHEMBL11193412 0.91 CAPN1 (0.66) CAPN1CTSKCTSLCTSBLMNA
SCHEMBL11064441 0.89 CAPN1 (0.62) CAPN1CTSKCTSLCTSBLMNA
SCHEMBL11191343 0.89 CAPN1 (0.61) CAPN1CTSKCTSLCTSBLMNA
SCHEMBL11063671 0.89 CAPN1 (0.68) CAPN1CTSKCTSLCTSBLMNA
Potassium Ion SCHEMBL11071633 0.87 CAPN1 (0.59) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL11064123 0.87 CAPN1 (0.61) CAPN1CTSKCTSLCTSBLMNA

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
US-4474800-A PROTEASE INHIBITORS, MUSCULAR DYSTROPHY TAISHO PHARMACEUTICAL CO., LTD. (JP) 1984-10-02 — — US disclosed