SCHEMBL27418342

SCHEMBL27418342

CCOC(=O)CC[C@H](C)[C@H](N)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.49
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
ALOX5 P09917 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40

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
SCHEMBL27489826 1.00 SLC15A1 (0.49) SLC15A1LMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL7385188 0.85 SLC15A1 (0.59) SLC15A1LMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL21274456 0.85 LTA4H (0.47) SLC15A1LMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL21274457 0.85 LTA4H (0.47) SLC15A1LMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL24235719 0.82 ALDH1A1 (0.54) SLC15A1LMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL22607077 0.82 ALDH1A1 (0.54) SLC15A1LMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL730695 0.82 SLC15A1 (0.53) SLC15A1LMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL353327 0.82 SLC15A1 (0.53) SLC15A1LMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL2779058 0.82 SLC15A1 (0.53) SLC15A1LMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL27323786 0.81 L3MBTL1 (0.49) L3MBTL1ALDH1A1KMT2AHPGDCYP1A2

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
CN-1266118-C Novel delta-amino-gamma-hydroxy-omega-aryl-alkanoic acid amides NOVARTIS AG (CH) 2006-07-26 CN disclosed
CN-1550491-A Novel delta-amino-gamma-hydroxy-omega-aryl-alkanoic acid amides ��˹��ŵ�� 2004-12-01 CN disclosed
CN-1153759-C Novel delta-amino-gamma hydroxy-omega-aryl-alkanamides ��˹��ŵ�� 2004-06-16 CN disclosed
CN-1117960-A Novel delta-amino-gamma hydroxy-omega-aryl-alkanamides CIBA GEIGY AG (CH) 1996-03-06 CN disclosed