SCHEMBL4537228

SCHEMBL4537228

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
BDKRB1 P46663 1/20 0.40
RAB9A P51151 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.39
DRD2 P14416 1/20 0.39
ACLY P53396 1/20 0.38
PGR P06401 1/20 0.38

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
SCHEMBL4530295 0.97 POLB (0.44) POLBRAB9ADRD2
SCHEMBL4534376 0.89 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4542909 0.89 TP53 (0.47) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL4531367 0.88 RAB9A (0.43) RAB9AKMT2A
SCHEMBL4538974 0.88 CYP19A1 (0.39) RAB9AKMT2A
SCHEMBL4539656 0.87 POLB (0.40) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL4542327 0.86 DRD2 (0.50) POLBRAB9AKMT2ADRD2
SCHEMBL4535937 0.86 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4542462 0.85 RAB9A (0.46) RAB9A
SCHEMBL4538143 0.84 RAB9A (0.50) 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