SCHEMBL5879914

SCHEMBL5879914

O=C(O)CC1c2ccccc2C(=O)N(CC(=O)N2CCN(CCN3CCOCC3)CC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.47
ITGAV P06756 11/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL5879559 0.97 HTR1A (0.46) ITGB3ITGAVL3MBTL1KDM4EUSP2
SCHEMBL5879871 0.92 ALDH1A1 (0.50) ITGB3ITGAVL3MBTL1KDM4EUSP2
SCHEMBL5879798 0.91 ALDH1A1 (0.49) ITGB3ITGAVL3MBTL1KDM4EUSP2
SCHEMBL5879653 0.87 ITGB3 (0.46) ITGB3ITGAVL3MBTL1KDM4EUSP2
SCHEMBL5879654 0.85 ITGB3 (0.46) ITGB3ITGAVL3MBTL1KDM4EUSP2
SCHEMBL5879536 0.85 ITGB3 (0.45) ITGB3ITGAVL3MBTL1KDM4EUSP2
SCHEMBL5879593 0.85 ITGB3 (0.59) ITGB3ITGAVKDM4E
SCHEMBL5879557 0.84 ITGB3 (0.44) ITGB3ITGAVL3MBTL1KDM4EUSP2
SCHEMBL5879648 0.83 CDC25A (0.44) ITGB3ITGAVL3MBTL1KDM4EUSP2
SCHEMBL5879590 0.83 ITGB3 (0.54) ITGB3ITGAVL3MBTL1KDM4EUSP2

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