Sugi Predict

Sugi Predict / Compounds / SCHEMBL8823960

SCHEMBL8823960

SCHEMBL8823960

CCOCC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.58
▸ CAPN2 P17655 1/20 0.58
▸ SIRT5 Q9NXA8 1/20 0.55
▸ CTSK P43235 9/20 0.55
▸ CTSS P25774 3/20 0.55
▸ CTSL P07711 2/20 0.55
▸ CTSB P07858 1/20 0.55
▸ SIRT2 Q8IXJ6 1/20 0.53
▸ SIRT1 Q96EB6 1/20 0.53

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
SCHEMBL8823937 0.91 PTPN1 (0.51) CAPN1CAPN2SIRT5CTSKCTSS
SCHEMBL8823943 0.88 CTSK (0.66) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL18789049 0.88 CAPN1 (0.63) CAPN1CAPN2SIRT5CTSKCTSS
SCHEMBL8823893 0.87 CTSK (0.59) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL8823903 0.87 CTSK (0.59) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL8823920 0.87 CTSK (0.61) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL8823953 0.84 CTSK (0.54) CAPN1CAPN2SIRT5CTSKCTSS
SCHEMBL8823912 0.84 CTSK (0.65) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL8823951 0.84 CAPN1 (0.63) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL8823894 0.82 CTSK (0.69) CAPN1CTSKCTSSCTSLCTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997049668-A1 INHIBITIORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 — — WO claimed
WO-1997049668-A1 INHIBITIORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 — — WO disclosed