SCHEMBL6975227

SCHEMBL6975227

CC(C)C(NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)CNC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.48
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
GPR119 Q8TDV5 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
NTSR1 P30989 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CCKBR P32239 1/20 0.39
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL6976104 0.90 YAP1 (0.47) YAP1KDM4EPKMGPR119MEN1
SCHEMBL6971270 0.90 YAP1 (0.46) YAP1KDM4EPKMGPR119MEN1
SCHEMBL6967985 0.89 YAP1 (0.45) YAP1KDM4EPKMGPR119MEN1
SCHEMBL6976494 0.88 YAP1 (0.44) YAP1KDM4EPKMGPR119MEN1
SCHEMBL6966742 0.86 YAP1 (0.49) YAP1KDM4EPKMMEN1KMT2A
SCHEMBL6964195 0.85 YAP1 (0.45) YAP1KDM4EPKMMEN1KMT2A
SCHEMBL6976461 0.85 HRH4 (0.45) YAP1KDM4EPKMMEN1KMT2A
SCHEMBL6966451 0.81 KDM4E (0.45) YAP1KDM4EPKMGPR119L3MBTL1
SCHEMBL6970413 0.79 BCHE (0.47) YAP1KDM4EPKMGPR119MAPT
SCHEMBL6964406 0.78 KDM4E (0.41) YAP1KDM4EPKMGPR119MEN1

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