SCHEMBL8045433

SCHEMBL8045433

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)C(N)C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.56
▸ CTSS P25774 2/20 0.56
▸ CTSB P07858 2/20 0.56
▸ CTSL P07711 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CAPN1 P07384 1/20 0.52
▸ CAPN2 P17655 1/20 0.52
▸ PSMB1 P20618 1/20 0.52

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
SCHEMBL29437121 0.83 SMN1; SMN2 (0.62) CTSKCTSSCTSBCTSLSMN1; SMN2
SCHEMBL36611 0.82 SMN1; SMN2 (0.61) CTSKCTSSCTSBCTSLSMN1; SMN2
SCHEMBL8496964 0.82 SMN1; SMN2 (0.61) CTSKCTSSCTSBCTSLSMN1; SMN2
SCHEMBL10385459 0.81 SMN1; SMN2 (0.60) CTSKCTSSCTSBCTSLSMN1; SMN2
SCHEMBL10385461 0.81 SMN1; SMN2 (0.60) CTSKCTSSCTSBCTSLSMN1; SMN2
Hydroxyamine SCHEMBL9197242 0.81 SMN1; SMN2 (0.60) CTSKCTSSCTSBCTSLSMN1; SMN2
SCHEMBL8410203 0.80 CTSK (0.62) CTSKCTSSCTSBCTSLCAPN1
SCHEMBL9228658 0.80 SMN1; SMN2 (0.59) CTSKCTSSCTSBCTSLSMN1; SMN2
SCHEMBL9228661 0.80 SMN1; SMN2 (0.59) CTSKCTSSCTSBCTSLSMN1; SMN2
SCHEMBL12829139 0.80 CTSK (0.72) CTSKCTSSCTSBCTSLCAPN1

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-6057362-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2000-05-02 — — US disclosed
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