SCHEMBL10908176

SCHEMBL10908176

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)NC(=O)C(O)COc1cccc(C(N)=O)c1)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 16/20 0.57
▸ CTSB P07858 3/20 0.54
▸ CTSS P25774 7/20 0.49
▸ CTSL P07711 5/20 0.49
▸ PSMB1 P20618 1/20 0.48
▸ CAPN1 P07384 1/20 0.46

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
SCHEMBL10905628 0.90 CTSK (0.47) CTSKCTSBCTSSCTSLCAPN1
SCHEMBL10907851 0.80 CTSK (0.57) CTSKCTSB
SCHEMBL11014917 0.78 CTSL (0.46) CTSKCTSBCTSSCTSL
SCHEMBL7355798 0.77 CTSK (0.74) CTSKCTSBCTSSCTSLCAPN1
SCHEMBL7355802 0.77 CTSK (0.74) CTSKCTSBCTSSCTSLCAPN1
SCHEMBL10905545 0.76 CTSK (0.54) CTSKCTSBCTSSCTSLPSMB1
SCHEMBL6663340 0.74 CTSK (0.67) CTSKCTSBCTSSCTSLPSMB1
SCHEMBL29860839 0.74 CTSK (0.70) CTSKCTSBCTSSCTSLCAPN1
SCHEMBL9788524 0.72 CTSK (0.71) CTSKCTSBCTSSCTSLCAPN1
SCHEMBL6664289 0.72 CTSK (0.67) CTSKCTSBCTSSCTSLCAPN1

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-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 — — US disclosed
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