SCHEMBL8551667

SCHEMBL8551667

C[C@H]1C[C@@](O)(c2cnc(-c3cnc(Sc4cc5c(cc4F)N(C)C(=O)CC5)s3)s2)CCO1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.37
CYP11B1 P15538 1/20 0.31

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
SCHEMBL4603569 0.93 ALOX5 (0.42) ALOX5CYP11B1
SCHEMBL9435738 0.93 ALOX5 (0.42) ALOX5CYP11B1
SCHEMBL9435741 0.93 ALOX5 (0.42) ALOX5CYP11B1
SCHEMBL2109199 0.93 ALOX5 (0.42) ALOX5CYP11B1
SCHEMBL2108142 0.80 ALOX5 (0.51) ALOX5CYP11B1
SCHEMBL2108127 0.77 ALOX5 (0.39) ALOX5CYP11B1
SCHEMBL8554174 0.76 ALOX5 (0.39) ALOX5
SCHEMBL8552719 0.76 ALOX5 (0.38) ALOX5
SCHEMBL8979505 0.75 ALOX5 (0.50) ALOX5CYP11B1
SCHEMBL2109679 0.74 ALOX5 (0.37) 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 disclosed