SCHEMBL6966451

SCHEMBL6966451

CCOC(=O)CC(CCc1ccccc1)NC(=O)CNC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
YAP1 P46937 3/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 5/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
STS P08842 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
SCHEMBL6964406 0.84 KDM4E (0.41) KDM4EPKMGPR119YAP1L3MBTL1
SCHEMBL6969250 0.83 NPC1 (0.43) KDM4EPKMGPR119YAP1L3MBTL1
SCHEMBL6967985 0.82 YAP1 (0.45) KDM4EPKMGPR119YAP1BCHE
SCHEMBL6976104 0.82 YAP1 (0.47) KDM4EPKMGPR119YAP1L3MBTL1
SCHEMBL6971137 0.82 KDM4E (0.41) KDM4EPKMYAP1LMNATP53
SCHEMBL7943550 0.81 TGFBR1 (0.43) KDM4EPKMGPR119YAP1LMNA
SCHEMBL6975040 0.81 LMNA (0.42) KDM4EPKMGPR119LMNATP53
SCHEMBL6975227 0.81 YAP1 (0.48) KDM4EPKMGPR119YAP1L3MBTL1
SCHEMBL7943621 0.80 KDM4E (0.40) KDM4EPKMGPR119YAP1LMNA
SCHEMBL6975405 0.80 GPR119 (0.45) KDM4EPKMGPR119YAP1BCHE

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