SCHEMBL8557669

SCHEMBL8557669

C[C@H]1C[C@@](O)(c2cccc(S(=O)(=O)c3cc4c(cc3F)N(C)C(=O)CC4)c2)CCO1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.35
TRPV1 Q8NER1 11/20 0.34
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32
CYP11B1 P15538 6/20 0.32
CYP11B2 P19099 6/20 0.32
ALOX5 P09917 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
SCHEMBL2107553 0.87 TRIM24 (0.36) TRIM24CYP11B1CYP11B2ALOX5
SCHEMBL8557003 0.85 TRPV1 (0.30) TRPV1CYP11B1
SCHEMBL8552161 0.84 MAP2K1 (0.32) TRIM24
SCHEMBL2109679 0.81 ALOX5 (0.37) TRPV1ALOX5
SCHEMBL2108075 0.80 TRIM24 (0.36) TRIM24TRPV1CYP11B1CYP11B2ALOX5
SCHEMBL8556507 0.78 ALOX5 (0.32) ALOX5
SCHEMBL8979495 0.78 TRIM24 (0.35) TRIM24TRPV1CYP11B1CYP11B2
SCHEMBL8556514 0.78 ATAD2 (0.39) CYP11B1CYP11B2
SCHEMBL2108940 0.76 TRIM24 (0.36) TRIM24CYP11B1CYP11B2ALOX5
SCHEMBL2107548 0.76 ALOX5 (0.43) TRIM24TRPV1CYP11B1CYP11B2ALOX5

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