SCHEMBL5879845

SCHEMBL5879845

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.46
ITGAV P06756 8/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GRIN2B Q13224 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
UTS2R Q9UKP6 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 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
SCHEMBL5879563 0.92 POLB (0.45) ITGB3ITGAVMEN1KMT2AGRIN2B
SCHEMBL5879789 0.87 ITGB3 (0.44) ITGB3ITGAVMEN1KMT2ANPSR1
SCHEMBL5879645 0.83 ITGB3 (0.61) ITGB3ITGAV
SCHEMBL5879778 0.81 ITGB3 (0.43) ITGB3ITGAVKMT2A
SCHEMBL5879698 0.79 ITGB3 (0.71) ITGB3ITGAV
SCHEMBL5879625 0.77 ITGB3 (0.61) ITGB3ITGAV
SCHEMBL5879601 0.74 HSD17B10 (0.45) ITGB3ITGAV
SCHEMBL5879838 0.71 ITGB3 (0.49) ITGB3ITGAV
SCHEMBL5879592 0.70 ITGB3 (0.43) ITGB3ITGAV
SCHEMBL5879538 0.70 ITGB3 (0.73) ITGB3ITGAV

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