SCHEMBL9136244

SCHEMBL9136244

CCOC(=O)C1(c2cc(F)cc(F)c2)CCOC(C)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.42
OPRM1 P35372 8/20 0.42
OPRD1 P41143 4/20 0.37
OPRK1 P41145 4/20 0.37
ALDH1A1 P00352 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9136129 0.84 ALOX5 (0.55) ALOX5OPRM1OPRD1OPRK1SLC22A1
SCHEMBL1600273 0.75 ALOX5 (0.55) ALOX5OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL31734191 0.72 OPRM1 (0.41) ALOX5OPRM1OPRD1OPRK1SLC22A1
SCHEMBL30999316 0.72 OPRM1 (0.41) ALOX5OPRM1OPRD1OPRK1SLC22A1
SCHEMBL7809211 0.70 OPRM1 (0.49) ALOX5OPRM1OPRD1OPRK1SLC22A1
SCHEMBL9197051 0.70 CHRNA1 (0.39) ALOX5SLC6A4
SCHEMBL8553527 0.70 CHRNA1 (0.39) ALOX5SLC6A4
SCHEMBL7809125 0.69 OPRM1 (0.48) ALOX5OPRM1OPRD1OPRK1SLC22A1
SCHEMBL1625409 0.69 OPRM1 (0.67) OPRM1OPRD1OPRK1ALDH1A1SLC22A1
SCHEMBL9222744 0.68 ALOX5 (0.37) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462830-B1 Cyclic ether derivatives ZENECA LTD (GB) 1995-10-18 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-5254581-A Used in the treatment of various inflammatory and allergic diseases IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
EP-0462830-A2 Cyclic ether derivatives ZENECA LIMITED (GB) 1991-12-27 EP disclosed