SCHEMBL8543149

SCHEMBL8543149

NC(=O)N(O)CCOc1ccc2c(c1)CCN(CCCc1ccc(F)c(F)c1)C2=O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.50
ITGA2B P08514 14/20 0.50
AOC3 Q16853 5/20 0.43
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL8542223 0.91 ITGB3 (0.54) ITGB3ITGA2BAOC3
SCHEMBL9425224 0.90 ITGB3 (0.51) ITGB3ITGA2BAOC3
SCHEMBL9425221 0.90 ITGB3 (0.50) ITGB3ITGA2BAOC3HRH3
SCHEMBL8547138 0.89 ITGB3 (0.51) ITGB3ITGA2BAOC3
SCHEMBL8543875 0.89 ITGB3 (0.48) ITGB3ITGA2BAOC3HRH3
SCHEMBL8548449 0.89 ITGB3 (0.53) ITGB3ITGA2BAOC3
SCHEMBL8545572 0.88 ITGB3 (0.51) ITGB3ITGA2BAOC3
SCHEMBL8545868 0.88 ITGB3 (0.51) ITGB3ITGA2BAOC3
SCHEMBL8543655 0.88 ITGB3 (0.54) ITGB3ITGA2BAOC3
SCHEMBL8548374 0.87 ITGB3 (0.50) ITGB3ITGA2BAOC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526402-B1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA GEIGY AG (CH) 1998-01-21 EP disclosed
US-5260316-A Lipoxygenase inhibitor CIBA-GEIGY CORPORATION (US) 1993-11-09 US disclosed
EP-0526402-A1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA-GEIGY AG (CH) 1993-02-03 EP disclosed