SCHEMBL6969250

SCHEMBL6969250

CCOC(=O)CC(NC(=O)CNC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 2/20 0.42
GPR119 Q8TDV5 7/20 0.39
THRB P10828 1/20 0.36
YAP1 P46937 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
NR3C1 P04150 2/20 0.36
TGFBR1 P36897 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL6971137 0.93 KDM4E (0.41) ALDH1A1MAPTKDM4EPKMLMNA
SCHEMBL7953690 0.89 KDM4E (0.40) ALDH1A1KDM4EPKMLMNAYAP1
SCHEMBL6975040 0.88 LMNA (0.42) MAPTKDM4EPKMLMNAGPR119
SCHEMBL7943550 0.88 TGFBR1 (0.43) KDM4EPKMLMNAGPR119YAP1
SCHEMBL7943621 0.87 KDM4E (0.40) MAPTKDM4EPKMLMNAGPR119
SCHEMBL6964406 0.87 KDM4E (0.41) ALDH1A1L3MBTL1KDM4EPKMLMNA
SCHEMBL6966451 0.83 KDM4E (0.45) MAPTL3MBTL1KDM4EPKMLMNA
SCHEMBL6973933 0.80 KDM4E (0.41) ALDH1A1MAPTL3MBTL1KDM4EPKM
SCHEMBL6975227 0.77 YAP1 (0.48) ALDH1A1MAPTMAPK1HTTL3MBTL1
SCHEMBL6976104 0.77 YAP1 (0.47) MAPTMAPK1HTTL3MBTL1KDM4E

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-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed
US-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 US disclosed