SCHEMBL8553417

SCHEMBL8553417

C[C@H]1C[C@@](O)(c2cccc(Sc3ccc4c(c3F)CCC(=O)N4C)c2)CCO1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.33
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
SCHEMBL2109679 0.85 ALOX5 (0.37) ALOX5TRPV1
SCHEMBL2107548 0.83 ALOX5 (0.43) ALOX5TRPV1
SCHEMBL8554702 0.81 MAP2K1 (0.32) ALOX5
SCHEMBL8557003 0.81 TRPV1 (0.30) TRPV1
SCHEMBL2108067 0.79 CREBBP (0.36) ALOX5
SCHEMBL8979547 0.78 ALOX5 (0.33) ALOX5TRPV1
SCHEMBL8557425 0.78 ALOX5 (0.34) ALOX5TRPV1
SCHEMBL8557662 0.76 ALOX5 (0.47) ALOX5TRPV1
SCHEMBL2108288 0.75 ALOX5 (0.33) ALOX5
SCHEMBL8557701 0.75 ALOX5 (0.32) ALOX5TRPV1

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 4 patents. 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
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP disclosed