SCHEMBL8334598

SCHEMBL8334598

CCOC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
CTSK P43235 2/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
F10 P00742 8/20 0.36
F2 P00734 2/20 0.36
KLKB1 P03952 1/20 0.36
ELANE P08246 1/20 0.36
PRSS1 P07477 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CTSD P07339 1/20 0.35
CTSS P25774 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
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
SCHEMBL4702237 0.87 ALDH1A1 (0.41) GAAF10F2KLKB1ELANE
SCHEMBL4704572 0.86 GAA (0.39) GAACTSKCTSLCTSBF10
SCHEMBL8334904 0.85 GAA (0.38) GAACTSKCTSLCTSBF10
SCHEMBL8336602 0.85 GAA (0.38) GAACTSKCTSLCTSBF10
SCHEMBL8334385 0.80 GAA (0.34) GAACTSKCTSLCTSBF10
Hydrochloric Acid SCHEMBL4705563 0.77 ALDH1A1 (0.40) GAAF10F2KLKB1ALDH1A1
SCHEMBL4702696 0.77 F10 (0.41) F10F2KLKB1ELANEALDH1A1
SCHEMBL6564079 0.76 GAA (0.40) GAACTSKF10F2PRSS1
SCHEMBL4705534 0.75 F10 (0.43) F10F2KLKB1ELANEALDH1A1
SCHEMBL4705981 0.75 F10 (0.42) F10F2KLKB1ELANEALDH1A1

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