SCHEMBL8523666

SCHEMBL8523666

CCCNC(=O)C(Cc1ccc(OCc2ccccc2)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.52
CTSK P43235 8/20 0.52
CTSB P07858 3/20 0.52
CTSL P07711 1/20 0.52
AKT1 P31749 1/20 0.51
BCL2 P10415 1/20 0.51
PSMB5 P28074 5/20 0.48
PSMB1 P20618 5/20 0.48
PSMB9 P28065 4/20 0.48
PSMB8 P28062 3/20 0.48
PSMB10 P40306 4/20 0.47
PSMB2 P49721 4/20 0.47
PTPN1 P18031 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
SCHEMBL1350878 0.87 PTPN1 (0.57) CTSSCTSKCTSBCTSLBCL2
SCHEMBL1350409 0.87 PTPN1 (0.57) CTSSCTSKCTSBCTSLBCL2
SCHEMBL19190003 0.87 BCL2 (0.52) CTSSCTSKCTSBCTSLAKT1
SCHEMBL1353726 0.86 PSMB1 (0.54) CTSSCTSKCTSBCTSLBCL2
SCHEMBL8474091 0.85 BCL2 (0.50) CTSSCTSKCTSBCTSLBCL2
SCHEMBL1349202 0.84 PSMB1 (0.53) CTSSCTSKCTSBCTSLBCL2
SCHEMBL19190694 0.84 HDAC8 (0.56) CTSSCTSKCTSBCTSLBCL2
SCHEMBL1349239 0.84 PSMB1 (0.51) CTSSCTSKCTSBCTSLBCL2
SCHEMBL19190193 0.84 PSMB1 (0.51) CTSSCTSKCTSBCTSLBCL2
SCHEMBL8552202 0.82 BCL2 (0.48) CTSSCTSKCTSBCTSLBCL2

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-5869507-A Azatyrosine analogues Wang, Hui-Po (TW) 1999-02-09 US disclosed
WO-1999004792-A1 NOVEL AZATYROSINE ANALOGUES AND PROCESS OF PREPARATION THEREOF TSAI, HANSEN (TW) 1999-02-04 WO disclosed