SCHEMBL4036783

SCHEMBL4036783

O=C1CCN1CCCCCOCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.57
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GBA1 P04062 2/20 0.46
UGCG Q16739 2/20 0.46
GBA2 Q9HCG7 2/20 0.46
TEAD3 Q99594 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LTA4H P09960 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6941703 0.80 TEAD3 (0.54) PKMALDH1A1GAANPC1RAB9A
SCHEMBL8108207 0.80 TEAD3 (0.54) PKMALDH1A1GAANPC1RAB9A
SCHEMBL8109617 0.80 TEAD3 (0.54) PKMALDH1A1GAANPC1RAB9A
SCHEMBL6941768 0.80 TEAD3 (0.54) PKMALDH1A1GAANPC1RAB9A
SCHEMBL7279696 0.79 PKM (0.63) PKMALDH1A1GAAMAPTATM
SCHEMBL21384057 0.78 PKM (0.62) PKMALDH1A1GAAMAPTATM
SCHEMBL8108121 0.78 TEAD3 (0.55) PKMALDH1A1GAANPC1RAB9A
SCHEMBL6944485 0.78 TEAD3 (0.55) PKMALDH1A1GAANPC1RAB9A
SCHEMBL9011734 0.76 TSHR (0.67) MEN1KMT2AGBA1UGCGGBA2
SCHEMBL9011624 0.76 TSHR (0.67) MEN1KMT2AGBA1UGCGGBA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585518-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP disclosed
EP-1585518-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-19 EP disclosed
WO-2005032550-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-04-14 WO disclosed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP disclosed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 WO disclosed