SCHEMBL8554774

SCHEMBL8554774

CN1C(=O)CCc2cc(I)c(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 17/20 0.40
CYP11B2 P19099 16/20 0.40
CYP19A1 P11511 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP17A1 P05093 1/20 0.40
SRD5A1 P18405 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CYP3A4 P08684 1/20 0.38
TRIM24 O15164 1/20 0.38

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
SCHEMBL8555667 0.80 CYP11B1 (0.40) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1
SCHEMBL14779835 0.80 SRD5A1 (0.42) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1
SCHEMBL8553555 0.75 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1
SCHEMBL6074490 0.74 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1
SCHEMBL423546 0.73 CYP11B2 (0.44) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1
SCHEMBL8556641 0.72 SRD5A1 (0.55) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1
SCHEMBL1439563 0.72 TRIM24 (0.45) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1
SCHEMBL28114020 0.72 SRD5A1 (0.59) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1
SCHEMBL8554279 0.72 CYP11B2 (0.51) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1
SCHEMBL23011958 0.72 MAP3K5 (0.44) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1

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