SCHEMBL9364971

SCHEMBL9364971

CCCC1(C)OCC(C)(c2cccc(OCc3ccc4ccc(F)cc4c3)c2)O1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.63
ADAM17 P78536 1/20 0.37
MAOB P27338 3/20 0.37

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
SCHEMBL9311616 0.91 ALOX5 (0.75) ALOX5ADAM17
SCHEMBL9370735 0.83 ALOX5 (0.60) ALOX5ADAM17MAOB
SCHEMBL9364733 0.80 ALOX5 (0.60) ALOX5ADAM17
SCHEMBL9365149 0.78 ALOX5 (1.00) ALOX5ADAM17
SCHEMBL9366371 0.74 ALOX5 (0.58) ALOX5ADAM17MAOB
SCHEMBL9740631 0.72 ALOX5 (0.48) ALOX5ADAM17MAOB
SCHEMBL9368934 0.72 ALOX5 (0.64) ALOX5ADAM17
SCHEMBL9364895 0.72 ALOX5 (0.57) ALOX5ADAM17
SCHEMBL9219840 0.72 ALOX5 (0.63) ALOX5
SCHEMBL9310914 0.71 ALOX5 (0.39) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375457-B1 Cyclic ether derivatives ICI PLC (GB) 1994-03-16 EP claimed
EP-0375457-A2 Cyclic ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP claimed
EP-0375457-B1 Cyclic ether derivatives ICI PLC (GB) 1994-03-16 EP disclosed
US-5219881-A Enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-15 US disclosed
US-5098932-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC, ICI PHARMA (FR) 1992-03-24 US disclosed
EP-0375457-A2 Cyclic ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed