SCHEMBL8336602

SCHEMBL8336602

CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CC=O)C(=O)N2CCOCC2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
F10 P00742 6/20 0.38
CTSK P43235 3/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
F2 P00734 3/20 0.37
KLKB1 P03952 3/20 0.37
CCR2 P41597 2/20 0.37
ELANE P08246 1/20 0.37
CTSD P07339 1/20 0.36
CTSS P25774 1/20 0.36
PLAT P00750 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL4704572 0.87 GAA (0.39) GAAF10CTSKCTSLCTSB
SCHEMBL8334904 0.86 GAA (0.38) GAAF10CTSKCTSLCTSB
SCHEMBL8334598 0.85 GAA (0.40) GAAF10CTSKCTSLCTSB
SCHEMBL4706028 0.84 F10 (0.39) F10F2KLKB1ELANEPLAT
SCHEMBL8334385 0.81 GAA (0.34) GAAF10CTSKCTSLCTSB
SCHEMBL5936039 0.75 GAA (0.37) GAAF10CTSKCTSLCTSB
SCHEMBL5936045 0.75 GAA (0.38) GAAF10CTSKF2CCR2
SCHEMBL6564079 0.74 GAA (0.40) GAAF10CTSKF2CCR2
SCHEMBL8337166 0.73 KDM4D (0.42) F10F2KLKB1ELANESMN1; SMN2
SCHEMBL4705534 0.73 F10 (0.43) F10F2KLKB1ELANEPLAT

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
EP-1567489-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 WO disclosed