SCHEMBL8557701

SCHEMBL8557701

C[C@H]1C[C@@](O)(c2cc(F)cc(Sc3cccc4c3N(C)C(=O)CC4)c2)CCO1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.32
MAP2K1 Q02750 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL8554702 0.90 MAP2K1 (0.32) ALOX5MAP2K1
SCHEMBL8553537 0.83 ALOX5 (0.36) ALOX5MAP2K1
SCHEMBL8557662 0.83 ALOX5 (0.47) ALOX5TRPV1
SCHEMBL8556507 0.81 ALOX5 (0.32) ALOX5MAP2K1
SCHEMBL8557425 0.80 ALOX5 (0.34) ALOX5MAP2K1TRPV1
SCHEMBL8557726 0.79 MAP2K1 (0.31) MAP2K1
SCHEMBL8556671 0.78 MAP2K1 (0.32) MAP2K1
SCHEMBL2109679 0.78 ALOX5 (0.37) ALOX5TRPV1
SCHEMBL8552719 0.78 ALOX5 (0.38) ALOX5MAP2K1
SCHEMBL8553573 0.78 ALOX5 (0.34) 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