SCHEMBL6464254

SCHEMBL6464254

CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
CTSL P07711 3/20 0.44
CTSB P07858 3/20 0.44
TSHR P16473 1/20 0.44
CTSD P07339 1/20 0.43
CTSS P25774 1/20 0.43
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8335553 0.89 TSHR (0.52) CTSKCTSLCTSBTSHRCTSS
SCHEMBL1414212 0.87 CTSK (0.48) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL1414210 0.87 CTSK (0.48) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL13044376 0.85 CTSK (0.47) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL8334683 0.85 CTSK (0.47) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL19853291 0.85 CTSK (0.60) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL22591021 0.85 CTSK (0.60) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL8307745 0.85 CTSK (0.60) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL10076126 0.84 CTSK (0.50) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL3741937 0.84 CTSK (0.50) CTSKSMN1; SMN2USP2CTSLCTSB

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-1567489-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
EP-1567489-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2005-08-31 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
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 WO disclosed