SCHEMBL4539656

SCHEMBL4539656

O=C(NCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1Cl)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
USP30 Q70CQ3 1/20 0.39
BDKRB1 P46663 2/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
PAX8 Q06710 1/20 0.38
ACLY P53396 1/20 0.37

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
SCHEMBL4541720 0.97 POLB (0.43) POLBUSP30NPC1RAB9AHCRTR1
SCHEMBL4534767 0.89 FAAH (0.41) EPHX2HTT
SCHEMBL4537228 0.87 POLB (0.41) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL4539999 0.86 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4537066 0.85 FAAH (0.42) EPHX2
SCHEMBL4539344 0.85 BDKRB1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4530295 0.83 POLB (0.44) POLBRAB9A
SCHEMBL4539833 0.83 HSD11B1 (0.53) BDKRB1
SCHEMBL4537322 0.83 PSEN1 (0.51) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL4535939 0.82 USP30 (0.48) USP30EPHX1EPHX2ACLY

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