SCHEMBL11061306

SCHEMBL11061306

CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)OC1CCCC1)C(=O)NCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 0.59
CTSK P43235 9/20 0.55
CTSS P25774 7/20 0.55
CTSL P07711 4/20 0.55
CAPN2 P17655 1/20 0.51
CTSB P07858 1/20 0.48

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
SCHEMBL11068021 0.99 CAPN1 (0.58) CAPN1CTSKCTSSCTSLCAPN2
SCHEMBL11065437 0.90 CAPN1 (0.68) CAPN1CTSKCTSSCTSLCAPN2
SCHEMBL11063698 0.89 CAPN1 (0.67) CAPN1CTSKCTSSCTSLCAPN2
SCHEMBL11069035 0.89 CAPN1 (0.67) CAPN1CTSKCTSSCTSLCAPN2
SCHEMBL11189319 0.87 CAPN1 (0.67) CAPN1CTSKCTSSCTSLCAPN2
SCHEMBL11064441 0.87 CAPN1 (0.62) CAPN1CTSKCTSSCTSLCAPN2
SCHEMBL11193412 0.86 CAPN1 (0.66) CAPN1CTSKCTSSCTSLCAPN2
SCHEMBL11191343 0.86 CAPN1 (0.61) CAPN1CTSKCTSSCTSLCAPN2
SCHEMBL11063602 0.86 CAPN1 (0.67) CAPN1CTSKCTSSCTSLCAPN2
Potassium Ion SCHEMBL11071633 0.85 CAPN1 (0.59) CAPN1CTSKCTSSCTSLCAPN2

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