SCHEMBL8553555

SCHEMBL8553555

CN1C(=O)CCc2cc(S(=O)(=O)Cl)c(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.42
CYP11B2 P19099 13/20 0.42
TRIM24 O15164 4/20 0.40
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
CYP17A1 P05093 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP19A1 P11511 1/20 0.36
SRD5A1 P18405 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL31443322 0.79 AR (0.39) CYP11B2
SCHEMBL8555667 0.75 CYP11B1 (0.40) CYP11B1CYP11B2TRIM24CYP17A1CYP1A2
SCHEMBL8554774 0.75 CYP11B1 (0.40) CYP11B1CYP11B2TRIM24CYP17A1CYP1A2
SCHEMBL14779835 0.75 SRD5A1 (0.42) CYP11B1CYP11B2TRIM24CYP17A1CYP1A2
SCHEMBL8600438 0.73 TRIM24 (0.53) CYP11B1CYP11B2TRIM24BRD4CREBBP
SCHEMBL8553131 0.71 CYP11B1 (0.40) CYP11B1CYP11B2TRIM24BRD4CREBBP
SCHEMBL14778934 0.70 CYP11B1 (0.35) CYP11B1CYP11B2CYP17A1CYP1A2CYP19A1
SCHEMBL31260072 0.70 CYP11B1 (0.35) CYP11B1CYP11B2CYP17A1CYP1A2CYP19A1
SCHEMBL423546 0.69 CYP11B2 (0.44) CYP11B1CYP11B2TRIM24BRD4CREBBP
SCHEMBL8556641 0.68 SRD5A1 (0.55) CYP11B1CYP11B2TRIM24BRD4CYP17A1

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