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SCHEMBL7430769

SCHEMBL7430769

COc1cc(CCC(=O)N2CCCN(C(=O)C(CC(=O)O)c3ccccc3)CC2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 13/20 0.52
▸ ITGB1 P05556 12/20 0.52
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LPAR1 Q92633 1/20 0.41
▸ LPAR2 Q9HBW0 1/20 0.41
▸ LPAR3 Q9UBY5 1/20 0.41
▸ CHEK1 O14757 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
SCHEMBL7426345 0.92 ITGA4 (0.52) ITGA4ITGB1MEN1KMT2ALPAR1
SCHEMBL7425736 0.92 ITGA4 (0.59) ITGA4ITGB1
SCHEMBL7425757 0.91 ITGA4 (0.53) ITGA4ITGB1MEN1KMT2ALPAR1
SCHEMBL7423534 0.89 ITGA4 (0.53) ITGA4ITGB1MEN1KMT2ALPAR1
SCHEMBL7420147 0.89 ITGA4 (0.57) ITGA4ITGB1MEN1KMT2ALPAR1
SCHEMBL7427416 0.88 ITGA4 (0.48) ITGA4ITGB1MEN1KMT2ACHEK1
SCHEMBL7421450 0.88 ITGA4 (0.55) ITGA4ITGB1MEN1KMT2ALPAR1
SCHEMBL7427067 0.87 ITGA4 (0.51) ITGA4ITGB1MEN1KMT2ALPAR1
SCHEMBL7424863 0.87 ITGA4 (0.50) ITGA4ITGB1MEN1KMT2A
SCHEMBL7428087 0.87 ITGA4 (0.50) ITGA4ITGB1MEN1KMT2ALPAR1

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
WO-1999054321-A1 SUBSTITUTED DIAMINES AND THEIR USE AS CELL ADHESION INHIBITORS AVENTIS PHARMA LIMITED (GB) 1999-10-28 — — WO disclosed