SCHEMBL4675188

SCHEMBL4675188

CCOC(=O)CC(C)NCC(CC(C)C)N1C(=O)N(Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)C(C)(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 12/20 0.41
ITGB1 P05556 11/20 0.41
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.34
LPAR1 Q92633 1/20 0.34

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
SCHEMBL8358384 1.00 ITGA4 (0.41) ITGA4ITGB1MAPTPOLBMEN1
SCHEMBL8359831 0.92 ITGB1 (0.47) ITGA4ITGB1
SCHEMBL4677538 0.92 ITGB1 (0.47) ITGA4ITGB1
SCHEMBL4671355 0.92 ITGB1 (0.42) ITGA4ITGB1MEN1KMT2A
SCHEMBL8361449 0.92 ITGB1 (0.42) ITGA4ITGB1MEN1KMT2A
Hydrochloric Acid SCHEMBL4674431 0.92 ITGB1 (0.47) ITGA4ITGB1
Hydrochloric Acid SCHEMBL4674452 0.92 ITGB1 (0.47) ITGA4ITGB1
Hydrochloric Acid SCHEMBL4674445 0.92 ITGB1 (0.47) ITGA4ITGB1
SCHEMBL4672022 0.91 ITGA4 (0.39) ITGA4ITGB1MAPTMEN1KMT2A
SCHEMBL14222075 0.91 ITGA4 (0.39) ITGA4ITGB1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414444-B1 NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-04-09 EP disclosed
EP-1414444-A1 NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS Aventis Pharma Deutschland GmbH (DE) 2004-05-06 EP disclosed
WO-2003011288-A1 NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-13 WO disclosed