SCHEMBL7718449

SCHEMBL7718449

CCN(CC)c1c(N[C@@H](Cc2ccc(Oc3nc(Cl)cc4ccccc34)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.64
ITGA4 P13612 19/20 0.64
PPARG P37231 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
SCHEMBL7716190 0.93 ITGB1 (0.54) ITGB1ITGA4PPARG
SCHEMBL7710699 0.85 ITGB1 (0.45) ITGB1ITGA4
SCHEMBL7710695 0.85 ITGB1 (0.45) ITGB1ITGA4
SCHEMBL7714166 0.84 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL7714212 0.84 ITGB1 (0.56) ITGB1ITGA4PPARG
SCHEMBL7264060 0.82 ITGB1 (0.55) ITGB1ITGA4PPARG
SCHEMBL7264054 0.82 ITGB1 (0.55) ITGB1ITGA4PPARG
SCHEMBL7710692 0.82 ITGB1 (0.53) ITGB1ITGA4PPARG
SCHEMBL7265026 0.81 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL7265032 0.81 ITGB1 (0.44) 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