SCHEMBL9046576

SCHEMBL9046576

CC1OCCC1(O)c1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.41
CHRNB1 P11230 2/20 0.41
CHRNB2 P17787 2/20 0.41
SLC6A2 P23975 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CHRNG P07510 1/20 0.41
CHRND Q07001 1/20 0.41
SLC6A4 P31645 1/20 0.33

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
SCHEMBL9380020 0.78 CHRNA1 (0.30) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL9226863 0.78 ALOX5 (0.42)
SCHEMBL9048013 0.73 CHRNA1 (0.33) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL9197051 0.73 CHRNA1 (0.39) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL8553527 0.73 CHRNA1 (0.39) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL8553060 0.71
SCHEMBL3876063 0.70 DDB1 (0.31)
SCHEMBL9049526 0.69
SCHEMBL8555875 0.69
SCHEMBL9046586 0.68 CA12 (0.32) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4

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-0555068-B1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1996-04-10 EP disclosed
US-5482966-A LIPOXYGENASE ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 1996-01-09 US disclosed
US-5332757-A Enzyme inhibitors ZENECA LIMITED (GB) 1994-07-26 US disclosed
EP-0555068-A1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1993-08-11 EP disclosed