SCHEMBL7590987

SCHEMBL7590987

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

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 18/20 0.62
ITGB1 P05556 17/20 0.62
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL7423395 0.91 ITGB1 (0.64) ITGA4ITGB1MEN1KMT2A
SCHEMBL7421112 0.91 ITGA4 (0.52) ITGA4ITGB1
SCHEMBL7426746 0.90 ITGA4 (0.64) ITGA4ITGB1MEN1KMT2A
SCHEMBL7387237 0.89 ITGB1 (0.73) ITGA4ITGB1MEN1KMT2A
SCHEMBL5701099 0.89 ITGB1 (0.73) ITGA4ITGB1MEN1KMT2A
SCHEMBL7647161 0.88 ITGA4 (0.62) ITGA4ITGB1MEN1KMT2A
SCHEMBL7423658 0.88 ITGB1 (0.65) ITGA4ITGB1MEN1KMT2A
SCHEMBL7425477 0.88 ITGA4 (0.61) ITGA4ITGB1MEN1KMT2A
SCHEMBL7426550 0.87 ITGA4 (0.64) ITGA4ITGB1MEN1KMT2A
SCHEMBL7651159 0.87 ITGB1 (0.64) ITGA4ITGB1MEN1KMT2A

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