SCHEMBL7647170

SCHEMBL7647170

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)N(C)C(=O)c3ccccc3)nc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 16/20 0.62
ITGB1 P05556 15/20 0.62
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL7378504 0.96 ITGA4 (0.59) ITGA4ITGB1MEN1KMT2ABCHE
SCHEMBL7427793 0.94 ITGA4 (0.59) ITGA4ITGB1KMT2ABCHEACHE
SCHEMBL7426753 0.93 ITGB1 (0.64) ITGA4ITGB1MEN1KMT2ABCHE
SCHEMBL7421722 0.91 ITGB1 (0.61) ITGA4ITGB1MEN1KMT2ABCHE
SCHEMBL7425495 0.91 ITGB1 (0.61) ITGA4ITGB1MEN1KMT2ABCHE
SCHEMBL7427104 0.90 ITGB1 (0.57) ITGA4ITGB1MEN1KMT2A
SCHEMBL7428160 0.90 ITGB1 (0.57) ITGA4ITGB1MEN1KMT2ABCHE
SCHEMBL7426542 0.89 ITGB1 (0.59) ITGA4ITGB1MEN1KMT2ABCHE
SCHEMBL7590998 0.88 ITGB1 (0.62) ITGA4ITGB1MEN1KMT2ABCHE
SCHEMBL7426813 0.88 ITGA4 (0.49) ITGA4ITGB1

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-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed