SCHEMBL6964406

SCHEMBL6964406

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
GPR119 Q8TDV5 8/20 0.38
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
YAP1 P46937 3/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TGFBR1 P36897 1/20 0.34

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
SCHEMBL6969250 0.87 NPC1 (0.43) KDM4EPKMGPR119LMNATHRB
SCHEMBL6973933 0.86 KDM4E (0.41) KDM4EPKMGPR119LMNATHRB
SCHEMBL6966451 0.84 KDM4E (0.45) KDM4EPKMGPR119LMNATHRB
SCHEMBL6971137 0.84 KDM4E (0.41) KDM4EPKMLMNATHRBYAP1
SCHEMBL7943550 0.82 TGFBR1 (0.43) KDM4EPKMGPR119LMNAYAP1
SCHEMBL6975040 0.82 LMNA (0.42) KDM4EPKMGPR119LMNATHRB
SCHEMBL7953690 0.82 KDM4E (0.40) KDM4EPKMLMNAYAP1MEN1
SCHEMBL6977865 0.82 GPR119 (0.41) KDM4EPKMGPR119LMNATHRB
Hydrochloric Acid SCHEMBL7953851 0.81 GPR119 (0.40) KDM4EPKMGPR119LMNATHRB
SCHEMBL7943621 0.81 KDM4E (0.40) KDM4EPKMGPR119LMNATHRB

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