SCHEMBL8549697

SCHEMBL8549697

CCOC(CCOc1ccc2c(c1)CCN(CCCc1ccccc1)C2=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
GRM5 P41594 2/20 0.48
ITGB3 P05106 10/20 0.47
ITGA2B P08514 10/20 0.47
AOC3 Q16853 2/20 0.47
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 2/20 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
SCHEMBL8548927 0.83 ITGB3 (0.53) MAOAMAOBGRM5ITGB3ITGA2B
SCHEMBL8547139 0.82 MAOA (0.53) MAOAMAOBGRM5ITGB3ITGA2B
SCHEMBL8550212 0.81 DRD3 (0.55) GRM5
SCHEMBL8545172 0.80 AOC3 (0.54) GRM5ITGB3ITGA2BAOC3
SCHEMBL8549552 0.80 AOC3 (0.54) MAOAMAOBGRM5ITGB3ITGA2B
SCHEMBL8543792 0.79 AOC3 (0.47) MAOAMAOBGRM5ITGB3ITGA2B
SCHEMBL8545447 0.77 ITGB3 (0.47) MAOAMAOBGRM5ITGB3ITGA2B
SCHEMBL8543655 0.77 ITGB3 (0.54) MAOAMAOBITGB3ITGA2BAOC3
SCHEMBL8543334 0.77 ITGB3 (0.48) MAOAMAOBGRM5ITGB3ITGA2B
SCHEMBL8549557 0.76 GRM5 (0.49) MAOAMAOBGRM5ITGB3ITGA2B

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 5 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-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