SCHEMBL8557681

SCHEMBL8557681

O=C1CCc2cc(S(=O)(=O)Cl)cc(Cl)c2N1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
PKM P14618 14/20 0.41
PKLR P30613 1/20 0.41
AHR P35869 1/20 0.37
SRD5A1 P18405 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL23413112 0.85 AHR (0.49) CYP1A2CYP11B1CYP11B2AHR
SCHEMBL9378752 0.78 CYP11B1 (0.52) CYP1A2CYP11B1CYP11B2PKMAHR
SCHEMBL428384 0.76 CYP11B1 (0.51) CYP1A2CYP11B1CYP11B2PKMPKLR
SCHEMBL7278086 0.75 CYP11B1 (0.50) CYP1A2CYP11B1CYP11B2PKMPKLR
SCHEMBL12559608 0.75 CYP11B1 (0.50) CYP1A2CYP11B1CYP11B2PKMAHR
SCHEMBL8553375 0.75 CYP11B1 (0.50) CYP1A2CYP11B1CYP11B2PKMPKLR
SCHEMBL14779528 0.75 CYP11B1 (0.50) CYP1A2CYP11B1CYP11B2PKMPKLR
SCHEMBL2586707 0.72 PKM (0.60) PKMPKLRIDO1
SCHEMBL30114411 0.72 PKM (0.60) PKMPKLRIDO1
SCHEMBL15828561 0.71 CYP11B1 (0.47) CYP1A2CYP11B1CYP11B2PKMAHR

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 5 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-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US 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