SCHEMBL7716447

SCHEMBL7716447

CCN(CC)c1c(N[C@@H](Cc2ccc(Oc3nc(C)cc4ccc(OC)cc34)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.63
ITGA4 P13612 18/20 0.63
PTGDR Q13258 1/20 0.39
PPARG P37231 1/20 0.36

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
SCHEMBL7259114 0.88 ITGB1 (0.62) ITGB1ITGA4
SCHEMBL7710715 0.87 ITGB1 (0.57) ITGB1ITGA4PTGDRPPARG
SCHEMBL7104235 0.84 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL7259004 0.82 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL7716443 0.82 ITGB1 (0.43) ITGB1ITGA4PTGDR
SCHEMBL7716445 0.82 ITGB1 (0.43) ITGB1ITGA4PTGDR
SCHEMBL7716453 0.82 ITGB1 (0.43) ITGB1ITGA4PTGDR
SCHEMBL7718449 0.81 ITGB1 (0.64) ITGB1ITGA4PPARG
SCHEMBL7259184 0.79 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL7104070 0.78 ITGB1 (0.62) 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-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed