SCHEMBL9425527

SCHEMBL9425527

NC(=O)N(O)CCOc1ccc2c(c1)CCN(Cc1cccc(Oc3ccccc3)c1)C2=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.49
ITGA2B P08514 17/20 0.49
AOC3 Q16853 1/20 0.44
TNIK Q9UKE5 1/20 0.43
GRM5 P41594 1/20 0.43

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
SCHEMBL8543373 0.94 ITGB3 (0.45) ITGB3ITGA2BAOC3TNIK
SCHEMBL8543052 0.94 ITGB3 (0.51) ITGB3ITGA2BAOC3GRM5
SCHEMBL8544909 0.92 ITGB3 (0.54) ITGB3ITGA2BAOC3GRM5
SCHEMBL8543577 0.90 ITGB3 (0.49) ITGB3ITGA2BAOC3TNIKGRM5
SCHEMBL8590285 0.89 FAAH (0.46) ITGB3ITGA2BTNIK
SCHEMBL8546103 0.88 ITGB3 (0.48) ITGB3ITGA2BAOC3
SCHEMBL8543749 0.87 ITGB3 (0.51) ITGB3ITGA2BAOC3GRM5
SCHEMBL8543645 0.87 ITGB3 (0.49) ITGB3ITGA2BAOC3
SCHEMBL9425119 0.86 ITGB3 (0.50) ITGB3ITGA2BAOC3
SCHEMBL8543942 0.85 ITGB3 (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5350761-A Lipoxygenase inhibitors as antiinflammatory agents and antiallergens CIBA-GEIGY CORPORATION (US) 1994-09-27 US disclosed
US-5334600-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1994-08-02 US 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