SCHEMBL8259105

SCHEMBL8259105

C=CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC=C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.50
▸ CTSK P43235 2/20 0.50
▸ PSMB8 P28062 1/20 0.50
▸ PSMB9 P28065 1/20 0.50
▸ PSMB5 P28074 1/20 0.50
▸ CTSL P07711 1/20 0.50
▸ CTSB P07858 1/20 0.50
▸ PTPN1 P18031 2/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ AKT1 P31749 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ P4HB P07237 1/20 0.48
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 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
SCHEMBL12285382 0.92 PAX8 (0.51) CTSSCTSKPSMB8PSMB9PSMB5
SCHEMBL5285879 0.92 CTSS (0.50) CTSSCTSKPSMB8PSMB9PSMB5
SCHEMBL28074876 0.88 CA1 (0.57) CTSSCTSKPSMB8PSMB9PSMB5
SCHEMBL12285414 0.87 PSMB8 (0.47) PSMB8PSMB9PSMB5PTPN1PAX8
SCHEMBL5303063 0.85 MAPT (0.51) CTSSCTSKPSMB8PSMB9PSMB5
SCHEMBL8243065 0.85 MAPT (0.51) CTSSCTSKPSMB8PSMB9PSMB5
SCHEMBL13128261 0.84 CTSS (0.68) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL15382667 0.83 PSMB8 (0.45) CTSSCTSKPSMB8PSMB9PSMB5
SCHEMBL6038153 0.83 CTSS (0.46) CTSSCTSKPSMB8PSMB9PSMB5
SCHEMBL23239711 0.82 SIRT2 (0.63) CTSSCTSKPSMB8PSMB9PSMB5

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
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 — — WO disclosed
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