Sugi Predict

Sugi Predict / Compounds / Idramantone

Idramantone

Idramantone

SCHEMBL4719916

NC1C2CC3CC1CC(O)(C3)C2.O=C1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.41

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.41
▸ HSD11B1 P28845 13/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD11B2 P80365 2/20 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
Idramantone SCHEMBL12496957 0.85 EPHX2 (0.52) EPHX2HSD11B1TSHRNPSR1
Idramantone SCHEMBL3506713 0.85 EPHX2 (0.52) EPHX2HSD11B1TSHRNPSR1
Idramantone SCHEMBL12496961 0.85 EPHX2 (0.52) EPHX2HSD11B1TSHRNPSR1
Idramantone SCHEMBL61676 0.85 EPHX2 (0.52) EPHX2HSD11B1TSHRNPSR1
Idramantone SCHEMBL3506706 0.85 EPHX2 (0.52) EPHX2HSD11B1TSHRNPSR1
Idramantone SCHEMBL3506711 0.85 EPHX2 (0.52) EPHX2HSD11B1TSHRNPSR1
SCHEMBL974709 0.83 PKM (0.37) EPHX2HSD11B1TSHRHSD11B2
SCHEMBL2812490 0.83 PKM (0.37) EPHX2HSD11B1TSHRHSD11B2
SCHEMBL3510056 0.83 PKM (0.37) EPHX2HSD11B1TSHRHSD11B2
SCHEMBL256757 0.83 PKM (0.37) EPHX2HSD11B1TSHRHSD11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 — — EP disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 — — WO disclosed