SCHEMBL9136129

SCHEMBL9136129

CCOC(=O)C1(c2cc(F)cc(OCc3ccccc3)c2)CCOC(C)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.55
ADAM17 P78536 2/20 0.44
OPRM1 P35372 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
SLC22A1 O15245 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
KCNH2 Q12809 1/20 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
SCHEMBL7808973 0.87 ALOX5 (0.70) ALOX5OPRM1
SCHEMBL9136244 0.84 ALOX5 (0.42) ALOX5OPRM1OPRD1OPRK1SLC22A1
SCHEMBL7811102 0.83 ALOX5 (0.58) ALOX5ADAM17OPRM1OPRD1OPRK1
SCHEMBL7810991 0.83 ALOX5 (0.57) ALOX5ADAM17OPRM1OPRD1OPRK1
SCHEMBL9212748 0.81 ALOX5 (0.49) ALOX5
SCHEMBL9212541 0.81 ALOX5 (0.49) ALOX5
SCHEMBL9212534 0.81 ALOX5 (0.49) ALOX5
SCHEMBL9228704 0.80 ALOX5 (0.51) ALOX5
SCHEMBL9221969 0.80 ALOX5 (0.51) ALOX5
SCHEMBL9137545 0.79 ALOX5 (0.55) 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