SCHEMBL4535933

SCHEMBL4535933

O=C(NCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.56
PSEN2 P49810 5/20 0.56
APH1B Q8WW43 5/20 0.56
NCSTN Q92542 5/20 0.56
APH1A Q96BI3 5/20 0.56
PSENEN Q9NZ42 5/20 0.56
PAX8 Q06710 1/20 0.50
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4538787 0.97 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4542333 0.97 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4536842 0.90 RAB9A (0.50) TSHRALDH1A1
SCHEMBL4539052 0.90 ALDH1A1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4535257 0.90 RAB9A (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4541043 0.90 ITGB1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4537565 0.90 RAB9A (0.51) NPSR1ALDH1A1
SCHEMBL4542596 0.89 MAPT (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4538141 0.88 BDKRB1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4537060 0.88 ALDH1A1 (0.43) 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 3 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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed