SCHEMBL11010387

SCHEMBL11010387

CC(C)(C)OC(=O)CCCCCCC(=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 8/20 0.44
▸ CTSK P43235 2/20 0.44
▸ CTSB P07858 5/20 0.43
▸ CTSS P25774 4/20 0.43
▸ REN P00797 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TACR1 P25103 2/20 0.42

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
SCHEMBL11009169 0.98 CTSL (0.44) CTSLCTSKCTSBCTSSREN
SCHEMBL10909782 0.91 REN (0.48) CTSKCTSBREN
SCHEMBL11009806 0.90 CTSL (0.48) CTSLCTSKCTSBCTSSTACR1
SCHEMBL11012743 0.90 REN (0.41) CTSLCTSKCTSBCTSSREN
SCHEMBL10907948 0.89 REN (0.48) CTSKCTSBREN
SCHEMBL11012749 0.88 CTSL (0.48) CTSLCTSKCTSBCTSSTACR1
SCHEMBL10908003 0.85 REN (0.52) REN
SCHEMBL11015826 0.84 CTSL (0.44) CTSLCTSKCTSBCTSSTACR1
SCHEMBL11007937 0.82 ITGB3 (0.40) CTSLCTSKCTSBCTSSTACR1
SCHEMBL10905626 0.82 REN (0.46) CTSLCTSKCTSBREN

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
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 — — EP disclosed
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