SCHEMBL8552161

SCHEMBL8552161

C[C@H]1C[C@@](O)(c2cccc(S(=O)(=O)c3cccc4c3N(C)C(=O)CC4)c2)CCO1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.32
TRIM24 O15164 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
SCHEMBL8556507 0.90 ALOX5 (0.32) MAP2K1
SCHEMBL8553658 0.86 MAP2K1 (0.31) MAP2K1
SCHEMBL2107553 0.85 TRIM24 (0.36) TRIM24
SCHEMBL8557669 0.84 TRIM24 (0.35) TRIM24
SCHEMBL8557003 0.81 TRPV1 (0.30)
SCHEMBL8556533 0.79 MAP2K1 (0.30) MAP2K1
SCHEMBL8554702 0.79 MAP2K1 (0.32) MAP2K1
SCHEMBL8556514 0.77 ATAD2 (0.39)
SCHEMBL8553372 0.75 PKM (0.42)
SCHEMBL8553537 0.75 ALOX5 (0.36) 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