SCHEMBL8060066

SCHEMBL8060066

C[C@H]1C[C@H]2CC3C[C@@](NC(=O)CC4CCCCN4S(=O)(=O)c4ccc(Cl)cc4)(C2)C[C@@H]3C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.50
PSEN2 P49810 7/20 0.50
APH1B Q8WW43 7/20 0.50
NCSTN Q92542 7/20 0.50
APH1A Q96BI3 7/20 0.50
PSENEN Q9NZ42 7/20 0.50
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
BDKRB1 P46663 1/20 0.45
PAX8 Q06710 1/20 0.42
EPHX2 P34913 1/20 0.42
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4541294 0.90 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4542928 0.87 LMNA (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4540868 0.82 BDKRB1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8062136 0.82 BDKRB1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8062139 0.81 RAB9A (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4537833 0.81 RAB9A (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4537242 0.80 NPC1 (0.53) BDKRB1EPHX2ALDH1A1
SCHEMBL4535199 0.80 MMP1 (0.53) BDKRB1PAX8HCRTR1HCRTR2
SCHEMBL4541024 0.80 RAB9A (0.48) LMNABDKRB1PAX8EPHX2
SCHEMBL4543050 0.79 BDKRB1 (0.52) 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 1 patent. 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 disclosed