SCHEMBL4535937

SCHEMBL4535937

O=C(NCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.58
PSEN2 P49810 5/20 0.58
APH1B Q8WW43 5/20 0.58
NCSTN Q92542 5/20 0.58
APH1A Q96BI3 5/20 0.58
PSENEN Q9NZ42 5/20 0.58
PAX8 Q06710 1/20 0.52
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 1/20 0.46
BDKRB1 P46663 1/20 0.46

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
SCHEMBL4542334 0.97 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4538792 0.97 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4541044 0.89 CNR1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4539055 0.89 RAB9A (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4536845 0.89 RAB9A (0.52) MAPTRAB9A
SCHEMBL4535259 0.89 RAB9A (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4537566 0.89 RAB9A (0.57) ALDH1A1RAB9A
SCHEMBL4542597 0.88 MAPT (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4538143 0.88 RAB9A (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4537065 0.87 TSHR (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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