SCHEMBL4538792

SCHEMBL4538792

O=C(NCC1CCCN1S(=O)(=O)c1ccc(Cl)cc1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.53
PSEN2 P49810 2/20 0.53
APH1B Q8WW43 2/20 0.53
NCSTN Q92542 2/20 0.53
APH1A Q96BI3 2/20 0.53
PSENEN Q9NZ42 2/20 0.53
RAB9A P51151 2/20 0.49
PAX8 Q06710 2/20 0.48
POLB P06746 1/20 0.47

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 1.00 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4535937 0.97 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4537553 0.89 PAX8 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4535343 0.89 HTR7 (0.50) RAB9A
SCHEMBL4541156 0.89 RAB9A (0.58) RAB9APAX8
SCHEMBL4541860 0.89 RAB9A (0.61) RAB9A
SCHEMBL4535237 0.88 RAB9A (0.53) RAB9A
SCHEMBL4535259 0.86 RAB9A (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4539055 0.86 RAB9A (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4536845 0.86 RAB9A (0.52) RAB9A

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