SCHEMBL7986231

SCHEMBL7986231

CCOC(=O)CC(C=O)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.52
▸ CTSB P07858 3/20 0.50
▸ CTSL P07711 1/20 0.50
▸ CTSS P25774 1/20 0.50
▸ CASP3 P42574 2/20 0.49
▸ PSMB1 P20618 1/20 0.49
▸ PSMB5 P28074 1/20 0.49
▸ PSMB2 P49721 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CASP1 P29466 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ CTRB1 P17538 2/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47

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
SCHEMBL13300766 1.00 CTSK (0.52) CTSKCTSBCTSLCTSSCASP3
SCHEMBL10277666 0.90 CTSK (0.51) CTSKCTSBPSMB1PSMB5PSMB2
SCHEMBL10277668 0.90 CTSK (0.51) CTSKCTSBPSMB1PSMB5PSMB2
SCHEMBL25992762 0.90 CTSK (0.51) CTSKCTSBPSMB1PSMB5PSMB2
SCHEMBL15424347 0.88 PSMB1 (0.53) CTSKCTSBCTSLCTSSCASP3
SCHEMBL8134834 0.87 PSMB1 (0.49) CTSKCTSBCTSLCTSSPSMB1
SCHEMBL25491975 0.87 CTSB (0.51) CTSKCTSBCTSLPSMB1PSMB5
SCHEMBL30825010 0.86 CTSK (0.59) CTSKCTSBCTSLCTSSPSMB1
SCHEMBL5275940 0.86 CTSK (0.59) CTSKCTSBCTSLCTSSPSMB1
SCHEMBL5275932 0.86 CTSK (0.59) CTSKCTSBCTSLCTSSPSMB1

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 — — US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 — — EP disclosed
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