SCHEMBL4036780

SCHEMBL4036780

O=C1NC[C@H]1CCCCCOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.51
LMNA P02545 1/20 0.47
CDC7 O00311 2/20 0.45
NAAA Q02083 2/20 0.43
EPHX2 P34913 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GBA1 P04062 2/20 0.40
UGCG Q16739 2/20 0.40
GBA2 Q9HCG7 2/20 0.40
HTT P42858 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TSHR P16473 1/20 0.38
REN P00797 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
SCHEMBL17144670 0.80 LMNA (0.43) LMNACDC7EPHX2HTTHRH4
SCHEMBL6969080 0.78 LMNA (0.42) LMNACDC7HTTHRH4HRH3
SCHEMBL4515733 0.78 CDC7 (0.48) HDAC6LMNACDC7NAAAEPHX2
SCHEMBL9011715 0.74 TSHR (0.67) NAAAEPHX2L3MBTL1TDP1GBA1
SCHEMBL9011624 0.74 TSHR (0.67) NAAAEPHX2L3MBTL1TDP1GBA1
SCHEMBL9011734 0.74 TSHR (0.67) NAAAEPHX2L3MBTL1TDP1GBA1
SCHEMBL9011646 0.74 TSHR (0.67) NAAAEPHX2L3MBTL1TDP1GBA1
SCHEMBL25195898 0.73 TSHR (0.64) NAAAEPHX2L3MBTL1TDP1GBA1
SCHEMBL2640223 0.73 TSHR (0.70) NAAAEPHX2L3MBTL1TDP1GBA1
SCHEMBL4517238 0.72 CDC7 (0.47) LMNACDC7EPHX2HTTHRH4

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