SCHEMBL9049476

SCHEMBL9049476

CO[C@]1(c2ccsc2)CCO[C@@H](C)C1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
KCNH2 Q12809 1/20 0.35
KCNA3 P22001 1/20 0.32
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 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
SCHEMBL9047613 0.79 KCNA3 (0.43) KCNA3
SCHEMBL9050558 0.77 BACE1 (0.36) BACE1KCNH2KCNA3SLC6A2SLC6A4
SCHEMBL9252771 0.76 ALOX5 (0.41) BACE1KCNH2KCNA3
SCHEMBL9197677 0.74 ALOX5 (0.37)
SCHEMBL9049332 0.74 ALOX5 (0.37)
SCHEMBL9371373 0.72 CHRNA1 (0.38) SLC6A2SLC6A4
SCHEMBL9226485 0.72 OPRM1 (0.39) SLC6A2SLC6A4
SCHEMBL9209049 0.72 OPRM1 (0.39) SLC6A2SLC6A4
SCHEMBL9226479 0.72 OPRM1 (0.39) SLC6A2SLC6A4
SCHEMBL9098611 0.72 ALOX5 (0.36)

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