SCHEMBL7939810

SCHEMBL7939810

O=C1CC2C[C@@H](C(=O)O)CC(/C1=C/O)N2S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 17/20 0.58
PSEN2 P49810 17/20 0.58
APH1B Q8WW43 17/20 0.58
NCSTN Q92542 17/20 0.58
APH1A Q96BI3 17/20 0.58
PSENEN Q9NZ42 17/20 0.58
NPC1 O15118 1/20 0.37
ACHE P22303 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL917091 0.85 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7933683 0.85 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL917089 0.85 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13264898 0.83 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL917478 0.82 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL917480 0.82 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7939377 0.81 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL915995 0.81 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL915994 0.81 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL917342 0.79 PSEN1 (0.54) 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-2010028213-A2 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2010-03-11 WO disclosed