SCHEMBL8554100

SCHEMBL8554100

CN1C(=O)CCc2c[c]c(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.39
CYP11B1 P15538 8/20 0.37
CYP11B2 P19099 8/20 0.37
CYP19A1 P11511 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP17A1 P05093 1/20 0.37
TRIM24 O15164 2/20 0.35
CYP3A4 P08684 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
SRD5A2 P31213 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
SCHEMBL1744658 0.81 SRD5A1 (0.38) SRD5A1CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL20564094 0.78 CYP11B1 (0.44) SRD5A1CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL8556641 0.72 SRD5A1 (0.55) SRD5A1CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL20564096 0.71 ALDH1A1 (0.41) TRPV1BRD4
SCHEMBL1746770 0.71 CYP11B2 (0.40) SRD5A1CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL1098492 0.70 CYP11B2 (0.40) SRD5A1CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL8553871 0.70 SRD5A1 (0.46) SRD5A1CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL8555667 0.70 CYP11B1 (0.40) SRD5A1CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL14779835 0.70 SRD5A1 (0.42) SRD5A1CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL8554774 0.70 CYP11B1 (0.40) SRD5A1CYP11B1CYP11B2CYP19A1CYP1A2

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 9 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 claimed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US claimed
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 claimed
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 claimed
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