SCHEMBL11981402

SCHEMBL11981402

CCCCOC(=O)CC(NC(=O)OCc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.58
▸ CTSL P07711 5/20 0.58
▸ CTSK P43235 3/20 0.51
▸ CTSB P07858 3/20 0.51
▸ CAPN1 P07384 1/20 0.48
▸ CAPN2 P17655 1/20 0.48
▸ CASP1 P29466 3/20 0.48
▸ TLR2 O60603 2/20 0.48
▸ SIRT2 Q8IXJ6 5/20 0.48
▸ SIRT1 Q96EB6 3/20 0.48
▸ SIRT3 Q9NTG7 3/20 0.48
▸ MME P08473 1/20 0.48
▸ ECE1 P42892 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
SCHEMBL12062829 0.87 CTSL (0.56) CTSSCTSLCTSKCASP1SIRT2
SCHEMBL4726420 0.87 CTSL (0.56) CTSSCTSLCTSKCASP1SIRT2
SCHEMBL8298775 0.87 CTSL (0.56) CTSSCTSLCTSKCASP1SIRT2
SCHEMBL8276699 0.85 SIRT2 (0.55) CTSSCTSLCTSKCASP1SIRT2
SCHEMBL2118680 0.85 CTSL (0.77) CTSSCTSLCTSKCTSBTLR2
Water SCHEMBL4982047 0.85 CTSL (0.57) CTSSCTSLCTSKCTSBCASP1
SCHEMBL14346835 0.84 ITGB3 (0.59) CTSSCTSLCTSKCTSBCAPN1
SCHEMBL8402651 0.84 ITGB3 (0.59) CTSSCTSLCTSKCTSBCAPN1
SCHEMBL28707519 0.84 CASP1 (0.60) CTSSCTSLCTSKCTSBCASP1
SCHEMBL28707521 0.84 CASP1 (0.60) CTSSCTSLCTSKCTSBCASP1

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-2484688-A1 PEPTIDE EPOXYKETONES FOR PROTEASOME INHIBITION Onyx Therapeutics, Inc. (US) 2012-08-08 — — EP disclosed
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