SCHEMBL8555696

SCHEMBL8555696

C[C@H]1C[C@@](O)(c2cccc(Sc3cc(Cl)c4c(c3)CCC(=O)N4)c2)CCO1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL8554600 0.85 KCNH2 (0.40)
SCHEMBL8557200 0.82 CYP1A2 (0.33) CYP1A2CYP11B1CYP11B2
SCHEMBL2108288 0.82 ALOX5 (0.33)
SCHEMBL8979529 0.77 CYP1A2 (0.36) CYP1A2CYP11B1CYP11B2
SCHEMBL2107548 0.76 ALOX5 (0.43) CYP1A2CYP11B1CYP11B2
SCHEMBL2108821 0.74 ATAD2 (0.40) CYP1A2CYP11B1CYP11B2
SCHEMBL8557705 0.74 ALOX5 (0.32)
SCHEMBL9458685 0.74 ALOX5 (0.33)
SCHEMBL9380130 0.74 ALOX5 (0.33)
SCHEMBL2108067 0.73 CREBBP (0.36)

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