SCHEMBL7718446

SCHEMBL7718446

Cc1cc2ccccc2c(Nc2ccc(C[C@H](Nc3c(N4C(C)CCC4C)c(=O)c3=O)C(=O)O)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.42
ITGA4 P13612 19/20 0.42
NPR3 P17342 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
SCHEMBL7718452 1.00 ITGB1 (0.42) ITGB1ITGA4NPR3
SCHEMBL7718454 1.00 ITGB1 (0.42) ITGB1ITGA4NPR3
SCHEMBL7718447 1.00 ITGB1 (0.42) ITGB1ITGA4NPR3
SCHEMBL7716158 0.91 ELANE (0.40) ITGB1ITGA4
SCHEMBL7716153 0.91 ELANE (0.40) ITGB1ITGA4
SCHEMBL7715509 0.90 ITGB1 (0.41) ITGB1ITGA4
SCHEMBL7716156 0.90 ITGB1 (0.39) ITGB1ITGA4
SCHEMBL7715506 0.90 ITGB1 (0.41) ITGB1ITGA4
SCHEMBL7716162 0.90 ITGB1 (0.39) ITGB1ITGA4
SCHEMBL7715504 0.90 ITGB1 (0.41) 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