SCHEMBL8238577

SCHEMBL8238577

CC1(S(=O)(=O)c2ccc(Cl)cc2)CCCOc2c(F)ccc(F)c21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 15/20 0.53
PSEN2 P49810 13/20 0.53
APH1B Q8WW43 12/20 0.53
NCSTN Q92542 12/20 0.53
APH1A Q96BI3 12/20 0.53
PSENEN Q9NZ42 12/20 0.53
APP P05067 12/20 0.53
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL8237678 0.92 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1365468 0.81 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12147246 0.80 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8237395 0.78 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1366859 0.78 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1366863 0.78 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1363537 0.78 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1367168 0.77 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8238539 0.77 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8238586 0.76 CYP3A4 (0.48) 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-2007084595-A2 CARBOCYCLIC AND HETEROCYCLIC ARYLSULFONES AS GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed