SCHEMBL7425484

SCHEMBL7425484

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.62
ITGA4 P13612 18/20 0.62
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB7 P26010 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
SCHEMBL7423658 0.91 ITGB1 (0.65) ITGB1ITGA4MEN1KMT2A
SCHEMBL7426746 0.89 ITGA4 (0.64) ITGB1ITGA4MEN1KMT2A
SCHEMBL7426550 0.88 ITGA4 (0.64) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL7382674 0.87 ITGB1 (0.64) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL7423395 0.87 ITGB1 (0.64) ITGB1ITGA4MEN1KMT2A
SCHEMBL7651159 0.87 ITGB1 (0.64) ITGB1ITGA4MEN1KMT2A
SCHEMBL7384232 0.87 ITGB1 (0.64) ITGB1ITGA4MEN1KMT2A
SCHEMBL7386627 0.86 ITGA4 (0.48) ITGB1ITGA4ITGB7
SCHEMBL7425477 0.86 ITGA4 (0.61) ITGB1ITGA4MEN1KMT2A
SCHEMBL7429372 0.86 ITGB1 (0.60) ITGB1ITGA4MEN1KMT2AITGB7

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