SCHEMBL8556558

SCHEMBL8556558

Cc1c[c]c2c(c1)CCC(=O)N2C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 7/20 0.44
SRD5A2 P31213 1/20 0.34
CYP1A2 P05177 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL8555700 0.83 SRD5A1 (0.47) SRD5A1SRD5A2CYP1A2CYP11B1CYP11B2
SCHEMBL8553871 0.81 SRD5A1 (0.46) SRD5A1SRD5A2CYP1A2CYP11B1CYP11B2
SCHEMBL8555270 0.70 SRD5A1 (0.45) SRD5A1SRD5A2CYP1A2CYP11B1CYP11B2
SCHEMBL1746770 0.69 CYP11B2 (0.40) SRD5A1SRD5A2CYP1A2CYP11B1CYP11B2
SCHEMBL1744658 0.69 SRD5A1 (0.38) SRD5A1SRD5A2CYP1A2CYP11B1CYP11B2
SCHEMBL422074 0.68 SRD5A1 (0.58) SRD5A1CYP1A2CYP11B1CYP11B2CYP17A1
SCHEMBL9539826 0.67 SRD5A1 (0.32) SRD5A1
SCHEMBL46315 0.66 CYP11B2 (0.50) SRD5A1SRD5A2CYP1A2CYP11B1CYP11B2
SCHEMBL8554100 0.64 SRD5A1 (0.39) SRD5A1SRD5A2CYP1A2CYP11B1CYP11B2
SCHEMBL1098492 0.64 CYP11B2 (0.40) SRD5A1SRD5A2CYP1A2CYP11B1CYP11B2

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 1 patent. 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