SCHEMBL9211005

SCHEMBL9211005

C[C@H]1C[C@](O)(c2cccc(OCc3ccccc3)c2)CCO1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.47
ADAM17 P78536 2/20 0.47
MAOB P27338 1/20 0.43
KDM1A O60341 1/20 0.42

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
SCHEMBL12638738 1.00 ALOX5 (0.47) ALOX5ADAM17MAOBKDM1A
SCHEMBL9222777 1.00 ALOX5 (0.47) ALOX5ADAM17MAOBKDM1A
SCHEMBL9222783 1.00 ALOX5 (0.47) ALOX5ADAM17MAOBKDM1A
SCHEMBL9221345 0.89 ALOX5 (0.57) ALOX5ADAM17
SCHEMBL9228816 0.89 ALOX5 (0.57) ALOX5ADAM17
SCHEMBL9227980 0.89 ALOX5 (0.57) ALOX5ADAM17
SCHEMBL9212541 0.87 ALOX5 (0.49) ALOX5
SCHEMBL9212748 0.87 ALOX5 (0.49) ALOX5
SCHEMBL9212534 0.87 ALOX5 (0.49) ALOX5
SCHEMBL9227543 0.86 ALOX5 (0.57) ALOX5ADAM17MAOBKDM1A

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
EP-0385662-B1 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LTD (GB) 1995-12-13 EP disclosed
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 US disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed