SCHEMBL6818486

SCHEMBL6818486

COc1cc(NC(=O)CCC(NS(=O)(=O)Cc2ccccc2)C(=O)O)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.44
MMP9 P14780 6/20 0.44
MMP8 P22894 2/20 0.44
MMP12 P39900 2/20 0.44
MMP14 P50281 2/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
FPR2 P25090 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITGB3 P05106 3/20 0.40
ITGAV P06756 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ITGA2B P08514 2/20 0.39
MET P08581 1/20 0.39

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
Benzene SCHEMBL6822148 0.88 MMP2 (0.47) MMP2MMP9MMP8MMP12MMP14
SCHEMBL6814135 0.86 NPC1 (0.44) NPC1RAB9AMEN1KMT2A
SCHEMBL7715008 0.79 LTA4H (0.55) NPC1RAB9AALDH1A1KDM4ENPSR1
SCHEMBL6820163 0.74 LTA4H (0.55) NPC1RAB9AALDH1A1KDM4ENPSR1
SCHEMBL6820161 0.74 LTA4H (0.55) NPC1RAB9AALDH1A1KDM4ENPSR1
SCHEMBL2179155 0.74 KDM4E (0.51) MMP2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL9185732 0.73 ALDH1A1 (0.52) NPC1RAB9AALDH1A1L3MBTL1KDM4E
SCHEMBL6670868 0.72 MMP9 (0.59) MMP2MMP9MMP8MMP12MMP14
SCHEMBL1509338 0.72 MMP9 (0.59) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7355412 0.72 MMP9 (0.59) MMP2MMP9MMP8MMP12MMP14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO claimed
WO-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO disclosed