SCHEMBL5700923

SCHEMBL5700923

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)NC(=O)CN3CCN(C)CC3)cc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.68
ITGA4 P13612 19/20 0.68
ITGB7 P26010 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL7645653 1.00 ITGB1 (0.68) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700762 0.94 ITGB1 (0.61) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700764 0.94 ITGB1 (0.61) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7390691 0.87 ITGB1 (0.66) ITGB1ITGA4ITGB7
SCHEMBL7644678 0.87 ITGB1 (0.66) ITGB1ITGA4ITGB7
SCHEMBL5700861 0.86 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5701082 0.86 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5701093 0.86 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700870 0.86 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5701016 0.86 ITGB1 (0.78) ITGB1ITGA4ITGB7MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
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