SCHEMBL7648745

SCHEMBL7648745

COc1cc(CC(=O)N(C)c2ccc(C(CC(=O)O)N(C)C(=O)c3ccc(C(=O)O)cc3)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 18/20 0.52
ITGB1 P05556 12/20 0.52
SMN1; SMN2 Q16637 1/20 0.43
ITGB7 P26010 1/20 0.38

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
SCHEMBL7648845 0.96 ITGA4 (0.54) ITGA4ITGB1SMN1; SMN2ITGB7
SCHEMBL7421234 0.94 ITGA4 (0.51) ITGA4ITGB1SMN1; SMN2ITGB7
SCHEMBL7388976 0.91 ITGA4 (0.55) ITGA4ITGB1ITGB7
SCHEMBL7425519 0.89 ITGA4 (0.54) ITGA4ITGB1ITGB7
SCHEMBL7422723 0.89 ITGA4 (0.54) ITGA4ITGB1ITGB7
SCHEMBL7389985 0.89 ITGA4 (0.57) ITGA4ITGB1SMN1; SMN2
SCHEMBL7588650 0.88 ITGA4 (0.50) ITGA4ITGB1ITGB7
SCHEMBL7427395 0.88 ITGA4 (0.52) ITGA4ITGB1ITGB7
SCHEMBL7387429 0.88 ITGA4 (0.49) ITGA4ITGB1ITGB7
SCHEMBL7380743 0.87 ITGA4 (0.52) ITGA4ITGB1SMN1; SMN2ITGB7

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