SCHEMBL5879563

SCHEMBL5879563

CC(=O)OC1c2ccccc2C(=O)N(CCC(=O)NCC2CCN(C(=O)NCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GRIN2B Q13224 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL5879845 0.92 ITGB3 (0.46) MEN1KMT2AGRIN2BHDAC3HDAC4
SCHEMBL5879789 0.83 ITGB3 (0.44) MEN1KMT2AF2PRSS1NPSR1
SCHEMBL5879601 0.82 HSD17B10 (0.45) HRH3KDM4EITGB3ITGAV
SCHEMBL5879645 0.74 ITGB3 (0.61) POLBKDM4EITGB3ITGAVTSHR
SCHEMBL5879778 0.74 ITGB3 (0.43) KMT2AKDM4EITGB3ITGAV
SCHEMBL5879698 0.71 ITGB3 (0.71) ITGB3ITGAVTSHR
SCHEMBL5879664 0.71 ITGB3 (0.52) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL5879625 0.69 ITGB3 (0.61) KDM4EITGB3ITGAVTSHR
SCHEMBL5879838 0.67 ITGB3 (0.49) ITGB3ITGAV
SCHEMBL5879692 0.67 NOS2 (0.48) MEN1KMT2AKDM4EITGB3ITGAV

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed