SCHEMBL8556671

SCHEMBL8556671

C[C@H]1C[C@@](O)(c2ccc(Sc3cccc4c3N(C)C(=O)CC4)s2)CCO1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.32

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
SCHEMBL8553537 0.86 ALOX5 (0.36) MAP2K1
SCHEMBL8552719 0.85 ALOX5 (0.38) MAP2K1
SCHEMBL8554702 0.81 MAP2K1 (0.32) MAP2K1
SCHEMBL8558044 0.81 ALOX5 (0.48)
SCHEMBL8558041 0.81 ALOX5 (0.48)
SCHEMBL2108382 0.81 ALOX5 (0.48)
SCHEMBL8557701 0.78 ALOX5 (0.32) MAP2K1
SCHEMBL9203608 0.76 ALOX5 (0.31)
SCHEMBL8556533 0.74 MAP2K1 (0.30) MAP2K1
SCHEMBL8557889 0.73 ALOX5 (0.34)

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