SCHEMBL6971137

SCHEMBL6971137

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.41
TGFBR1 P36897 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 6/20 0.39
MMP1 P03956 3/20 0.39
MMP3 P08254 3/20 0.39
MMP7 P09237 3/20 0.39
MMP9 P14780 3/20 0.39
MMP8 P22894 3/20 0.39
MMP13 P45452 3/20 0.39
MMP2 P08253 2/20 0.39
YAP1 P46937 1/20 0.39
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 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
SCHEMBL6969250 0.93 NPC1 (0.43) KDM4EPKMLMNATGFBR1ALDH1A1
SCHEMBL7943550 0.92 TGFBR1 (0.43) KDM4EPKMLMNATGFBR1TP53
SCHEMBL7953690 0.91 KDM4E (0.40) KDM4EPKMLMNATGFBR1ALDH1A1
SCHEMBL7943621 0.87 KDM4E (0.40) KDM4EPKMLMNATGFBR1MMP13
SCHEMBL6975040 0.86 LMNA (0.42) KDM4EPKMLMNATP53THRB
SCHEMBL6964406 0.84 KDM4E (0.41) KDM4EPKMLMNATGFBR1ALDH1A1
SCHEMBL6966451 0.82 KDM4E (0.45) KDM4EPKMLMNATP53YAP1
SCHEMBL6966742 0.79 YAP1 (0.49) KDM4EPKMLMNATGFBR1TP53
SCHEMBL6973933 0.79 KDM4E (0.41) KDM4EPKMLMNAALDH1A1TP53
SCHEMBL6964195 0.76 YAP1 (0.45) KDM4EPKMLMNATGFBR1TP53

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