SCHEMBL7426753

SCHEMBL7426753

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.64
ITGA4 P13612 16/20 0.64
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7647170 0.93 ITGA4 (0.62) ITGB1ITGA4MEN1KMT2ABCHE
SCHEMBL7421722 0.93 ITGB1 (0.61) ITGB1ITGA4MEN1KMT2ABCHE
SCHEMBL7425495 0.93 ITGB1 (0.61) ITGB1ITGA4MEN1KMT2ABCHE
SCHEMBL7426542 0.91 ITGB1 (0.59) ITGB1ITGA4MEN1KMT2ABCHE
SCHEMBL7378504 0.91 ITGA4 (0.59) ITGB1ITGA4MEN1KMT2ABCHE
SCHEMBL7427793 0.91 ITGA4 (0.59) ITGB1ITGA4KMT2ABCHEACHE
SCHEMBL7590998 0.90 ITGB1 (0.62) ITGB1ITGA4MEN1KMT2ABCHE
SCHEMBL7427104 0.89 ITGB1 (0.57) ITGB1ITGA4MEN1KMT2APOLB
SCHEMBL7423647 0.89 ITGB1 (0.57) ITGB1ITGA4MEN1KMT2ABCHE
SCHEMBL5701045 0.89 ITGB1 (0.76) ITGB1ITGA4MEN1KMT2ABCHE

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
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed