SCHEMBL6188431

SCHEMBL6188431

CC(C)O[C@](C)(N)C(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
USP2 O75604 1/20 0.45
PKM P14618 1/20 0.41
FKBP1A P62942 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL29317762 0.86 SMN1; SMN2 (0.47) SMN1; SMN2USP2PKMFKBP1ATSHR
SCHEMBL4176542 0.76 SMN1; SMN2 (0.51) SMN1; SMN2USP2PKMTSHRALDH1A1
SCHEMBL5986955 0.74 SMN1; SMN2 (0.53) SMN1; SMN2USP2PKMFKBP1ATSHR
SCHEMBL8392706 0.74 SMN1; SMN2 (0.53) SMN1; SMN2USP2PKMTSHRALDH1A1
SCHEMBL14433020 0.73 SMN1; SMN2 (0.52) SMN1; SMN2USP2PKMFKBP1ATSHR
SCHEMBL12308627 0.72 SMN1; SMN2 (0.45) SMN1; SMN2USP2PKMFKBP1ATSHR
SCHEMBL17323928 0.72 SMN1; SMN2 (0.44) SMN1; SMN2USP2PKMFKBP1ATSHR
SCHEMBL8749086 0.72 SMN1; SMN2 (0.55) SMN1; SMN2USP2PKMTSHRALDH1A1
SCHEMBL800634 0.72 SMN1; SMN2 (0.55) SMN1; SMN2USP2PKMTSHRALDH1A1
SCHEMBL26790796 0.70 SMN1; SMN2 (0.49) SMN1; SMN2USP2PKMFKBP1ATSHR

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-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