SCHEMBL6879513

SCHEMBL6879513

NC(=O)C12CC3CCCC(C1)C(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.42
HSD11B2 P80365 2/20 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
SCHEMBL8063391 1.00 HSD11B1 (0.42) HSD11B1HSD11B2
SCHEMBL8060470 1.00 HSD11B1 (0.42) HSD11B1HSD11B2
SCHEMBL3391997 0.77 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL3391937 0.77 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL6290733 0.76 ALDH1A1 (0.47) HSD11B1
SCHEMBL975068 0.75 HSD11B1 (0.44) HSD11B1HSD11B2
SCHEMBL975067 0.75 HSD11B1 (0.44) HSD11B1HSD11B2
SCHEMBL3661870 0.75 HSD11B1 (0.44) HSD11B1HSD11B2
SCHEMBL975066 0.75 HSD11B1 (0.44) HSD11B1HSD11B2
SCHEMBL12093270 0.75 HSD11B1 (0.44) HSD11B1HSD11B2

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
WO-2011058582-A1 HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-05-19 WO disclosed