SCHEMBL9050558

SCHEMBL9050558

C[C@H]1C[C@@](O)(c2ccsc2)CCO1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHRM1 P11229 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
SLC6A2 P23975 6/20 0.33
SLC6A4 P31645 6/20 0.33
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
KCNA3 P22001 1/20 0.31

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
SCHEMBL9049476 0.77 BACE1 (0.35) BACE1KCNH2SLC6A2SLC6A4KCNA3
SCHEMBL9086686 0.75 KCNA3 (0.40) CHRM1SIGMAR1SLC6A2SLC6A4HCAR3
SCHEMBL11063102 0.74 CHRM1 (0.40) CHRM1SLC6A2SLC6A4
SCHEMBL27437731 0.74
SCHEMBL8553649 0.73 OPRM1 (0.40) BACE1CHRM1
SCHEMBL1310070 0.72
SCHEMBL8553527 0.72 CHRNA1 (0.39) SLC6A2SLC6A4
SCHEMBL9197051 0.72 CHRNA1 (0.39) SLC6A2SLC6A4
SCHEMBL9229582 0.72 OPRK1 (0.41) SLC6A2SLC6A4
SCHEMBL12638735 0.72 OPRK1 (0.41) SLC6A2SLC6A4

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 6 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
EP-0681576-A1 OXIME DERIVATIVES ZENECA LIMITED (GB) 1995-11-15 EP disclosed
WO-1994017054-A1 OXIME DERIVATIVES ZENECA LIMITED (GB) 1994-08-04 WO 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