SCHEMBL8319047

SCHEMBL8319047

O=C(O)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.52
PSEN2 P49810 7/20 0.52
APH1B Q8WW43 7/20 0.52
NCSTN Q92542 7/20 0.52
APH1A Q96BI3 7/20 0.52
PSENEN Q9NZ42 7/20 0.52
ACHE P22303 1/20 0.49
MMP8 P22894 4/20 0.42
MMP3 P08254 3/20 0.42
APP P05067 3/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR1 P21554 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL8328120 0.98 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5310614 0.94 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8319435 0.90 MMP2 (0.48) ACHEMMP8MMP3HTTAKR1C3
SCHEMBL13479960 0.88 AKR1C3 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2959199 0.88 AKR1C3 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8319431 0.88 AKR1C3 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16298352 0.88 AKR1C3 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8327363 0.88 MMP2 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13201330 0.87 MMP8 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8326140 0.85 PSEN1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
WO-2004060874-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed