SCHEMBL8552078

SCHEMBL8552078

C[C@H]1C[C@@](O)(c2csc(Sc3cccc4ccc(=O)n(C)c34)c2)CCO1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 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
SCHEMBL8556455 0.86 ALOX5 (0.34) ALOX5
SCHEMBL2106820 0.81 ALOX5 (0.42) ALOX5
SCHEMBL8553537 0.78 ALOX5 (0.36) ALOX5
SCHEMBL9371449 0.74 ALOX5 (0.40) ALOX5
SCHEMBL8556706 0.73
SCHEMBL8556618 0.73
SCHEMBL2107107 0.73 ALOX5 (0.43) ALOX5
SCHEMBL9277272 0.71 ALOX5 (0.53) ALOX5
SCHEMBL9277268 0.71 ALOX5 (0.53) ALOX5
SCHEMBL1445372 0.70 ALOX5 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP claimed