SCHEMBL7716191

SCHEMBL7716191

CC(C)Oc1c(NC(Cc2ccc(Nc3nc(C(C)C)cc4ccccc34)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.43
ITGA4 P13612 19/20 0.43
NPR3 P17342 1/20 0.39

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
SCHEMBL7716188 1.00 ITGB1 (0.43) ITGB1ITGA4NPR3
SCHEMBL7258056 0.90 ITGB1 (0.43) ITGB1ITGA4NPR3
SCHEMBL7259939 0.90 ITGB1 (0.47) ITGB1ITGA4NPR3
SCHEMBL7258050 0.90 ITGB1 (0.43) ITGB1ITGA4NPR3
SCHEMBL7259945 0.90 ITGB1 (0.47) ITGB1ITGA4NPR3
SCHEMBL7714210 0.89 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7714207 0.89 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7715500 0.88 ITGB1 (0.43) ITGB1ITGA4NPR3
SCHEMBL7716467 0.84 ITGB1 (0.53) ITGB1ITGA4NPR3
SCHEMBL7716169 0.83 ELANE (0.40) 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