SCHEMBL8334904

SCHEMBL8334904

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ELANE P08246 1/20 0.38
F10 P00742 8/20 0.37
F2 P00734 1/20 0.37
KLKB1 P03952 1/20 0.37
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSD P07339 1/20 0.36
CTSS P25774 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSK P43235 2/20 0.36
TSHR P16473 1/20 0.35
RECQL P46063 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) GAAELANEF10F2KLKB1
SCHEMBL4706177 0.87 F10 (0.40) ELANEF10F2KLKB1
SCHEMBL8336602 0.86 GAA (0.38) GAAELANEF10F2KLKB1
SCHEMBL8334598 0.85 GAA (0.40) GAAELANEF10F2KLKB1
SCHEMBL8334385 0.81 GAA (0.34) GAAELANEF10F2KLKB1
SCHEMBL4702696 0.79 F10 (0.41) ELANEF10F2KLKB1
SCHEMBL5936027 0.79 GAA (0.39) GAAF10F2CTSKTSHR
SCHEMBL4704301 0.79 GAA (0.39) GAAF10F2CTSKTSHR
SCHEMBL4704091 0.78 DPP4 (0.40) GAAF10F2KLKB1SMN1; SMN2
SCHEMBL5936169 0.77 F10 (0.38) ELANEF10F2KLKB1

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