SCHEMBL5700872

SCHEMBL5700872

COC(=O)C[C@@H](NCS(C)(=O)=O)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.66
ITGA4 P13612 16/20 0.66
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX2 P34913 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
SCHEMBL5701099 0.94 ITGB1 (0.73) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL7387237 0.94 ITGB1 (0.73) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700808 0.89 ITGB1 (0.68) ITGB1ITGA4MEN1KMT2AEPHX2
SCHEMBL5700900 0.87 ITGB1 (0.70) ITGB1ITGA4MEN1KMT2AEPHX2
SCHEMBL5700904 0.87 ITGB1 (0.70) ITGB1ITGA4MEN1KMT2AEPHX2
SCHEMBL5700952 0.87 ITGB1 (0.70) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700947 0.87 ITGB1 (0.70) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700827 0.85 ITGB1 (0.70) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700821 0.85 ITGB1 (0.70) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700854 0.84 ITGB1 (0.73) ITGB1ITGA4MEN1KMT2AEPHX2

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 2 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