SCHEMBL4535169

SCHEMBL4535169

COc1cccc(S(=O)(=O)N2CCCC2CC(=O)NC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.54
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
RAB9A P51151 2/20 0.54
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
FAAH O00519 1/20 0.48
CNR2 P34972 1/20 0.48
EPHX2 P34913 1/20 0.47
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
KCNQ1 P51787 1/20 0.42
TP53 P04637 1/20 0.42
BDKRB1 P46663 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
SCHEMBL4542205 0.89 RAB9A (0.52) RAB9AHCRTR1HCRTR2CNR2BDKRB1
SCHEMBL4535231 0.88 HTR7 (0.52) HTR7TMEM97RAB9AKMT2AEPHX2
SCHEMBL4542494 0.88 HTR7 (0.52) HTR7TMEM97RAB9AKMT2AEPHX2
SCHEMBL4536998 0.86 BDKRB1 (0.49) HTR7RAB9AHCRTR1HCRTR2MEN1
SCHEMBL4535199 0.86 MMP1 (0.53) RAB9AHCRTR1HCRTR2CNR2BDKRB1
SCHEMBL4541345 0.86 POLB (0.44) HTR7RAB9AKMT2AUSP2LMNA
SCHEMBL4542819 0.85 RAB9A (0.54) RAB9AKMT2AEPHX2
SCHEMBL4537661 0.85 HTR1A (0.48) HTR7RAB9AKMT2AEPHX2USP2
SCHEMBL4536790 0.84 BDKRB1 (0.53) RAB9AHCRTR1HCRTR2KMT2AEPHX2
SCHEMBL4543050 0.83 BDKRB1 (0.52) RAB9AHCRTR1HCRTR2MEN1KMT2A

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 3 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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed