SCHEMBL9219892

SCHEMBL9219892

COC1(c2cccc(O)c2)CCOC(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.41
TSHR P16473 1/20 0.40
ALOX5 P09917 3/20 0.39
ICMT O60725 4/20 0.38
GAA P10253 1/20 0.38
OPRM1 P35372 5/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
OPRK1 P41145 2/20 0.36

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
SCHEMBL1599480 0.81 ALOX5 (0.54) OPRD1ALOX5
SCHEMBL9259587 0.78 ALOX5 (0.56) OPRD1ALOX5OPRM1SLC6A2SLC6A4
SCHEMBL9219796 0.78 ALOX5 (0.58) ALOX5
SCHEMBL9229538 0.75 ALOX5 (0.75) ALOX5
SCHEMBL9209049 0.74 OPRM1 (0.39) OPRD1ALOX5OPRM1SLC6A2SLC6A4
SCHEMBL9226479 0.74 OPRM1 (0.39) OPRD1ALOX5OPRM1SLC6A2SLC6A4
SCHEMBL10435461 0.74 OPRM1 (0.39) OPRD1ALOX5OPRM1SLC6A2SLC6A4
SCHEMBL9226485 0.74 OPRM1 (0.39) OPRD1ALOX5OPRM1SLC6A2SLC6A4
SCHEMBL9126466 0.70 OPRM1 (0.45) OPRD1OPRM1SLC6A2SLC6A4OPRK1
SCHEMBL9126456 0.70 OPRM1 (0.45) OPRD1OPRM1SLC6A2SLC6A4OPRK1

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 10 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-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
EP-0375404-B1 Heterocyclic derivatives ICI PLC (GB) 1994-02-09 EP disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5234950-A Antiallergens, antiinflammatory agents; cardiovascular disorders, antiarthritic IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 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-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