SCHEMBL9029002

SCHEMBL9029002

COC1(c2cc(F)cc(OCc3ccccc3)c2)CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.70
PTGS1 P23219 4/20 0.63
PTGS2 P35354 4/20 0.63

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
SCHEMBL8550340 0.93 ALOX5 (0.61) ALOX5PTGS1PTGS2
SCHEMBL9227636 0.91 ALOX5 (0.63) ALOX5PTGS1PTGS2
SCHEMBL9228198 0.89 ALOX5 (0.74) ALOX5
SCHEMBL9253013 0.88 ALOX5 (0.70) ALOX5PTGS1PTGS2
SCHEMBL9037639 0.88 ALOX5 (0.74) ALOX5PTGS1PTGS2
SCHEMBL9035232 0.88 ALOX5 (0.70) ALOX5PTGS1PTGS2
SCHEMBL6025633 0.87 ALOX5 (0.66) ALOX5PTGS1PTGS2
SCHEMBL9224252 0.86 ALOX5 (0.68) ALOX5PTGS1PTGS2
SCHEMBL9229310 0.85 ALOX5 (0.67) ALOX5PTGS1PTGS2
SCHEMBL12707332 0.85 ALOX5 (0.52) ALOX5PTGS1PTGS2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462831-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1996-02-28 EP disclosed
US-5462953-A Benzoxazolyl derivatives useful as 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-10-31 US disclosed
EP-0462813-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-10-25 EP disclosed
EP-0462830-B1 Cyclic ether derivatives ZENECA LTD (GB) 1995-10-18 EP disclosed
EP-0466452-B1 Thioxo heterocycles and their pharmaceutical use ZENECA LTD (GB) 1995-09-20 EP disclosed
US-5407945-A Pyran derivatives and their use as inhibitors of 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES, INC. (GB) 1995-04-18 US disclosed
US-5403859-A PHENYLENE-CYCLIC ETHER COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-04 US disclosed
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 US disclosed
US-5373007-A Lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-12-13 US disclosed
US-5364877-A Antiinflammatory agents, antiallergens ICI PHARMA (GB) 1994-11-15 US disclosed
US-5217969-A Antiinflammatory, antiulcer agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
US-5179115-A Antiinflammatory agents, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-12 US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed
US-5098930-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-24 US disclosed
EP-0466452-A2 Thioxo heterocycles and their pharmaceutical use ZENECA LIMITED (GB) 1992-01-15 EP disclosed
EP-0462831-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed
EP-0462830-A2 Cyclic ether derivatives ZENECA LIMITED (GB) 1991-12-27 EP disclosed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed