SCHEMBL3633717

SCHEMBL3633717

CCCc1cc(CCC)c(CC(=O)NS(=O)(=O)O)c(CCC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
MTNR1A P48039 1/20 0.34
NLRP3 Q96P20 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PTPN1 P18031 2/20 0.32
PTPN11 Q06124 2/20 0.32
GPR84 Q9NQS5 2/20 0.32
PLK1 P53350 1/20 0.32
METAP2 P50579 1/20 0.32
KAT6A Q92794 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
XBP1 P17861 1/20 0.31
HIF1A Q16665 1/20 0.31
HMGCR P04035 1/20 0.31
CA2 P00918 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5669064 0.78 SOAT2 (0.48) MTNR1ANLRP3KAT6A
SCHEMBL8720139 0.72 FFAR4 (0.43) FLT1FLT4KDRMTNR1ANLRP3
SCHEMBL6941987 0.72 PTPN1 (0.41) MTNR1ANLRP3PTPN1PTPN11GPR84
SCHEMBL1952267 0.70 CA2 (0.37) MTNR1AFFAR4PTPN1PTPN11GPR84
SCHEMBL11684526 0.68 HPGD (0.37) PTPN1PTPN11HMGCRALDH1A1
SCHEMBL9080680 0.67 L3MBTL1 (0.46) PTPN1PTPN11LMNAALDH1A1
SCHEMBL18243922 0.67 PTPN1 (0.34) MTNR1AFFAR4PTPN1PTPN11GPR84
SCHEMBL6936615 0.66 PPARG (0.36) PTPN1PTPN11GPR84PLK1LMNA
SCHEMBL18242177 0.65 ALOX5 (0.36) MTNR1AFFAR4PTPN1PTPN11HMGCR
SCHEMBL4960554 0.64 HTT (0.53) PTPN1PTPN11HIF1AHMGCRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158203-A2 PYRIMIDINEDIONE DERIVATIVES AND USE THEREOF SCHERING CORPORATION (US) 2010-03-03 EP disclosed
WO-2008127591-A2 PYRIMIDINEDIONE DERIVATIVES AND USE THEREOF SCHERING CORPORATION (US) 2008-10-23 WO disclosed
EP-1841460-A2 THERAPEUTIC FORMULATIONS FOR THE TREATMENT OF BETA-AMYLOID RELATED DISEASES Neurochem (International) Limited (CH) 2007-10-10 EP disclosed
WO-2007049098-A2 THERAPEUTIC FORMULATIONS FOR THE TREATMENT OF BETA-AMYLOID RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-05-03 WO disclosed
EP-1585520-A1 THERAPEUTIC FORMULATIONS FOR THE TREATMENT OF BETA-AMYLOID RELATED DISEASES Neurochem (International) Limited (CH) 2005-10-19 EP disclosed
WO-2004058258-A1 THERAPEUTIC FORMULATIONS FOR THE TREATMENT OF BETA-AMYLOID RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-07-15 WO disclosed