SCHEMBL7716445

SCHEMBL7716445

COc1ccc2cc(C)nc(Oc3ccc(CC(Nc4c(N5C(C)CCC5C)c(=O)c4=O)C(=O)O)cc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.43
ITGA4 P13612 17/20 0.43
PTGDR Q13258 1/20 0.38
ADORA2A P29274 1/20 0.36
KMT2A Q03164 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
SCHEMBL7716443 1.00 ITGB1 (0.43) ITGB1ITGA4PTGDRADORA2AKMT2A
SCHEMBL7716453 1.00 ITGB1 (0.43) ITGB1ITGA4PTGDRADORA2AKMT2A
SCHEMBL7259164 0.88 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7259169 0.88 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7716463 0.88 ITGB1 (0.39) ITGB1ITGA4PTGDR
SCHEMBL7716466 0.88 ITGB1 (0.39) ITGB1ITGA4PTGDR
SCHEMBL7710707 0.88 ITGB1 (0.39) ITGB1ITGA4PTGDR
SCHEMBL7264630 0.83 ITGB1 (0.35) ITGB1ITGA4
SCHEMBL7264633 0.83 ITGB1 (0.35) ITGB1ITGA4
SCHEMBL7265032 0.82 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