SCHEMBL4541044

SCHEMBL4541044

O=C(NCC1CCCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
ITGB1 P05556 5/20 0.45
ITGA4 P13612 5/20 0.45
ITGB7 P26010 1/20 0.45
RAB9A P51151 1/20 0.44
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
PAX8 Q06710 1/20 0.41
SLC13A5 Q86YT5 1/20 0.41

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
SCHEMBL4538143 0.90 RAB9A (0.50) ITGB1ITGA4ITGB7RAB9APSEN1
SCHEMBL4535937 0.89 PSEN1 (0.58) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL4535237 0.87 RAB9A (0.53) ITGB1ITGA4ITGB7RAB9A
SCHEMBL4542597 0.86 MAPT (0.45) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL4542334 0.86 PSEN1 (0.53) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL4538792 0.86 PSEN1 (0.53) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL4537065 0.85 TSHR (0.44) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL4537566 0.85 RAB9A (0.57) RAB9A
SCHEMBL4537228 0.84 POLB (0.41) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL4539055 0.83 RAB9A (0.46) RAB9APSEN1PSEN2APH1BNCSTN

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