SCHEMBL7716463

SCHEMBL7716463

COc1ccc2cc(C)nc(Nc3ccc(C[C@H](Nc4c(N5C(C)CCC5C)c(=O)c4=O)C(=O)O)cc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.39
ITGA4 P13612 17/20 0.39
PTGDR Q13258 1/20 0.37
ATM Q13315 1/20 0.35

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
SCHEMBL7716466 1.00 ITGB1 (0.39) ITGB1ITGA4PTGDRATM
SCHEMBL7710707 1.00 ITGB1 (0.39) ITGB1ITGA4PTGDRATM
SCHEMBL7716156 0.90 ITGB1 (0.39) ITGB1ITGA4
SCHEMBL7716166 0.90 ITGB1 (0.39) ITGB1ITGA4
SCHEMBL7716162 0.90 ITGB1 (0.39) ITGB1ITGA4
SCHEMBL7710717 0.89 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7710712 0.89 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7710720 0.89 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7718447 0.88 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7718446 0.88 ITGB1 (0.42) 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 2 patents. 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 claimed
US-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed