Sugi Predict

Sugi Predict / Compounds / SCHEMBL4532833

SCHEMBL4532833

SCHEMBL4532833

COc1ccccc1S(=O)(=O)N1CCC(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ CNR2 P34972 4/20 0.47
▸ FAAH O00519 2/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ EPHX2 P34913 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4539129 0.87 EPHX2 (0.52) KMT2AMEN1CNR2EPHX1LMNA
SCHEMBL4537010 0.87 EPHX2 (0.55) EPHX1EPHX2
SCHEMBL8070996 0.85 HDAC3 (0.52) KMT2AFAAHEPHX1LMNAHTT
SCHEMBL4541178 0.85 EPHX1 (0.50) KMT2AEPHX1EPHX2ALDH1A1
SCHEMBL4535493 0.85 HDAC3 (0.52) KMT2AFAAHEPHX1LMNAHTT
SCHEMBL4536597 0.84 CYP19A1 (0.54) KMT2AMEN1EPHX1LMNAHTT
SCHEMBL4535598 0.83 KMT2A (0.46) KMT2AMEN1EPHX1LMNAEPHX2
SCHEMBL4537439 0.83 EPHX2 (0.48) KMT2ACNR2EPHX1LMNAEPHX2
SCHEMBL4540431 0.83 NPC1 (0.55) KMT2AEPHX1LMNAHTTEPHX2
SCHEMBL4540032 0.82 PKM (0.51) CNR2EPHX1LMNAHTTEPHX2

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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 — — WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 — — WO disclosed