SCHEMBL6967985

SCHEMBL6967985

CC(C)(C)OC(=O)N1CCC(CCC(CCC2CCN(C(=O)O)CC2)C(=O)NCC(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)NCCCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.45
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NTSR1 P30989 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6966742 0.91 YAP1 (0.49) YAP1KDM4EPKMMAPTMAPK1
SCHEMBL6964195 0.90 YAP1 (0.45) YAP1KDM4EPKMMAPTMAPK1
SCHEMBL6975227 0.89 YAP1 (0.48) YAP1KDM4EPKMITGB3ITGA2B
SCHEMBL6976104 0.89 YAP1 (0.47) YAP1KDM4EPKMMAPTMAPK1
SCHEMBL6971270 0.88 YAP1 (0.46) YAP1KDM4EPKMITGB3ITGA2B
SCHEMBL6976494 0.86 YAP1 (0.44) YAP1KDM4EPKMMAPTMAPK1
SCHEMBL6976461 0.85 HRH4 (0.45) YAP1KDM4EPKMMAPTMEN1
SCHEMBL6966451 0.82 KDM4E (0.45) YAP1KDM4EPKMMAPTBCHE
SCHEMBL6970413 0.78 BCHE (0.47) YAP1KDM4EPKMITGB3ITGA2B
SCHEMBL6967652 0.76 BCHE (0.51) YAP1ITGB3ITGA2BMAPTMAPK1

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