SCHEMBL7651105

SCHEMBL7651105

COc1cc(CC(=O)N(C)c2ccc(C(CC(=O)O)NC(=O)CCCC(=O)O)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.54
ITGA4 P13612 17/20 0.54
ITGB7 P26010 1/20 0.48
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7427051 0.96 ITGB1 (0.55) ITGB1ITGA4ITGB7POLBSMN1; SMN2
SCHEMBL7427083 0.96 ITGB1 (0.55) ITGB1ITGA4ITGB7POLBSMN1; SMN2
SCHEMBL7393025 0.91 ITGA4 (0.55) ITGB1ITGA4ITGB7POLBSMN1; SMN2
SCHEMBL7421221 0.91 ITGA4 (0.55) ITGB1ITGA4ITGB7
SCHEMBL7389752 0.89 ITGA4 (0.54) ITGB1ITGA4ITGB7
SCHEMBL7388626 0.88 ITGB1 (0.55) ITGB1ITGA4ITGB7POLBSMN1; SMN2
SCHEMBL7427395 0.88 ITGA4 (0.52) ITGB1ITGA4ITGB7
SCHEMBL7646545 0.88 ITGB1 (0.60) ITGB1ITGA4ITGB7
SCHEMBL7380743 0.87 ITGA4 (0.52) ITGB1ITGA4ITGB7SMN1; SMN2
SCHEMBL7423227 0.87 ITGA4 (0.53) ITGB1ITGA4ITGB7POLBSMN1; SMN2

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