SCHEMBL8554702

SCHEMBL8554702

C[C@H]1C[C@@](O)(c2cccc(Sc3cccc4c3N(C)C(=O)CC4)c2)CCO1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.32
ALOX5 P09917 1/20 0.30

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
SCHEMBL8557701 0.90 ALOX5 (0.32) MAP2K1ALOX5
SCHEMBL8557726 0.89 MAP2K1 (0.31) MAP2K1
SCHEMBL8553537 0.86 ALOX5 (0.36) MAP2K1ALOX5
SCHEMBL8557425 0.86 ALOX5 (0.34) MAP2K1ALOX5
SCHEMBL2108288 0.85 ALOX5 (0.33) ALOX5
SCHEMBL2107548 0.84 ALOX5 (0.43) ALOX5
SCHEMBL2109679 0.84 ALOX5 (0.37) ALOX5
SCHEMBL8556671 0.81 MAP2K1 (0.32) MAP2K1
SCHEMBL8553417 0.81 ALOX5 (0.33) ALOX5
SCHEMBL8552161 0.79 MAP2K1 (0.32) MAP2K1

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