SCHEMBL7651606

SCHEMBL7651606

Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2ccc(C(CC(=O)O)NC(=O)CCCC(=O)O)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.58
ITGA4 P13612 20/20 0.58

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
SCHEMBL7651670 0.95 ITGB1 (0.60) ITGB1ITGA4
SCHEMBL7423659 0.90 ITGB1 (0.60) ITGB1ITGA4
SCHEMBL7476878 0.90 ITGB1 (0.62) ITGB1ITGA4
SCHEMBL7586799 0.89 ITGB1 (0.62) ITGB1ITGA4
SCHEMBL7427106 0.88 ITGB1 (0.60) ITGB1ITGA4
SCHEMBL5701102 0.88 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL5701108 0.88 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL7390224 0.86 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL7646597 0.85 ITGB1 (0.59) ITGB1ITGA4
SCHEMBL7388628 0.85 ITGB1 (0.55) ITGB1ITGA4

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 1 patent. 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