SCHEMBL8556027

SCHEMBL8556027

Cc1c[c]cc2c1N(C)C(=O)CC2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.36
BRD4 O60885 1/20 0.34
SRD5A2 P31213 1/20 0.32
CYP17A1 P05093 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL8555697 0.81 SRD5A1 (0.37) SRD5A1SRD5A2CYP11B1CYP11B2
SCHEMBL8553869 0.81 SRD5A1 (0.37) SRD5A1SRD5A2CYP11B1CYP11B2
SCHEMBL5542049 0.78 TRIM24 (0.37) SRD5A1BRD4CYP1A2CYP19A1CYP11B1
SCHEMBL8555101 0.73 SRD5A1 (0.46) SRD5A1BRD4CYP17A1CYP1A2CYP19A1
SCHEMBL29332003 0.70 SRD5A1 (0.47) SRD5A1BRD4SRD5A2CYP17A1CYP1A2
SCHEMBL8555796 0.70 BRD4 (0.38) SRD5A1BRD4SRD5A2CYP17A1CYP1A2
SCHEMBL6986853 0.68 CYP11B1 (0.50) CYP19A1CYP11B1CYP11B2
SCHEMBL3270541 0.68 CYP11B2 (0.41) SRD5A1BRD4SRD5A2CYP17A1CYP1A2
SCHEMBL6990481 0.66 CYP11B1 (0.48) CYP11B1CYP11B2
SCHEMBL1450547 0.64 TRIM24 (0.39) SRD5A1BRD4SRD5A2CYP17A1CYP1A2

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