SCHEMBL7366740

SCHEMBL7366740

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 11/20 0.62
PSMB5 P28074 11/20 0.62
PSMB9 P28065 10/20 0.62
PSMB8 P28062 10/20 0.62
PSMB10 P40306 5/20 0.62
PSMB2 P49721 5/20 0.62
BCL2 P10415 1/20 0.61
CTSS P25774 4/20 0.58
CTSK P43235 3/20 0.58
CTSL P07711 1/20 0.58
CTSB P07858 1/20 0.58
PTPN1 P18031 1/20 0.54
HDAC8 Q9BY41 1/20 0.54

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
SCHEMBL5833941 0.88 BCL2 (0.60) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL22163625 0.86 PSMB1 (0.58) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL992881 0.86 PSMB1 (0.58) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL993498 0.85 CTSS (0.59) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL12706406 0.85 BCL2 (0.66) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL3383006 0.85 CTSS (0.77) CTSSCTSKCTSLCTSB
SCHEMBL19982258 0.84 CTSS (0.65) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL12706400 0.84 BCL2 (0.65) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL7283532 0.84 MMP9 (0.69) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL7283537 0.84 MMP9 (0.69) PSMB1PSMB5PSMB9PSMB8PSMB10

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-0217286-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1987-04-08 EP disclosed