SCHEMBL7714181

SCHEMBL7714181

CCCN(CCC)c1c(N[C@@H](Cc2ccc(Nc3nc(CC)cc4cc(OC)ccc34)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.51
ITGA4 P13612 19/20 0.51
PTGDR Q13258 1/20 0.40

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
SCHEMBL7714205 0.94 ITGB1 (0.58) ITGB1ITGA4PTGDR
SCHEMBL7710679 0.93 ITGB1 (0.42) ITGB1ITGA4PTGDR
SCHEMBL7714179 0.88 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7714172 0.86 ITGB1 (0.49) ITGB1ITGA4PTGDR
SCHEMBL7716446 0.82 ITGB1 (0.41) ITGB1ITGA4PTGDR
SCHEMBL7716449 0.82 ITGB1 (0.41) ITGB1ITGA4PTGDR
SCHEMBL7716444 0.82 ITGB1 (0.41) ITGB1ITGA4PTGDR
SCHEMBL7714171 0.82 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL7258634 0.80 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7716204 0.80 ITGB1 (0.49) 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