SCHEMBL7359157

SCHEMBL7359157

CC(C)C[C@H](NC(=O)CCOCc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 2/20 0.50
REN P00797 1/20 0.49
MMP1 P03956 2/20 0.48
FCER2 P06734 1/20 0.47
KISS1R Q969F8 1/20 0.47
PSMB5 P28074 2/20 0.47
CTSK P43235 3/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
MMP8 P22894 1/20 0.46
PSMB11 A5LHX3 1/20 0.46
PSMD11 O00231 1/20 0.46
PSMD12 O00232 1/20 0.46
PSMD14 O00487 1/20 0.46
PSMA7 O14818 1/20 0.46
PSMD3 O43242 1/20 0.46
PSMC3 P17980 1/20 0.46
PSMA1 P25786 1/20 0.46
PSMA2 P25787 1/20 0.46
PSMA3 P25788 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
SCHEMBL7364890 0.82 MME (0.52) PSMB5CTSKCAPN1
SCHEMBL7364893 0.82 MME (0.52) PSMB5CTSKCAPN1
SCHEMBL10591376 0.80 CAPN1 (0.57) PSMB1CTSKCTSLCTSSCAPN1
SCHEMBL7363526 0.80 BIRC2 (0.54) PSMB5CTSKCTSLCTSS
SCHEMBL7363529 0.80 BIRC2 (0.54) PSMB5CTSKCTSLCTSS
SCHEMBL27429302 0.78 PSMB1 (0.67) PSMB1CTSKCTSLCTSSCAPN1
SCHEMBL7267407 0.76 PSMB1 (0.70) PSMB1CTSKCTSLCTSSCAPN1
SCHEMBL7363053 0.76 ECE1 (0.47) RENKISS1RMMP8PTPN1
SCHEMBL7359768 0.76 ECE1 (0.49) RENMMP1FCER2KISS1RMMP8
SCHEMBL2914760 0.75 CTSK (0.70) PSMB1CTSKCTSLCTSSCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed