SCHEMBL6936615

SCHEMBL6936615

CCCc1[c]c(CCC)cc(C(=O)Cc2c(CCC)cc(CCC)cc2CCC)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.36
PPARA Q07869 10/20 0.36
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR84 Q9NQS5 2/20 0.31
PLK1 P53350 1/20 0.31
THRB P10828 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
SCHEMBL6940643 0.85 PPARG (0.40) PPARGPPARALMNAMAPTXBP1
SCHEMBL6941987 0.78 PTPN1 (0.41) PPARGPPARAPTPN1PTPN11LMNA
SCHEMBL147801 0.71 CNR1 (0.37) PTPN1PTPN11GPR84
SCHEMBL6936875 0.70 ALDH1A1 (0.34) PPARGPPARAPTPN1PTPN11
SCHEMBL5704698 0.69
SCHEMBL11684526 0.67 HPGD (0.37) PTPN1PTPN11
SCHEMBL9080680 0.66 L3MBTL1 (0.46) PTPN1PTPN11LMNAL3MBTL1THRB
SCHEMBL18243922 0.66 PTPN1 (0.34) PTPN1PTPN11GPR84PLK1
SCHEMBL5048782 0.66 PTGS2 (0.33) PLK1
SCHEMBL3633717 0.66 FLT1 (0.34) PTPN1PTPN11LMNAMAPTXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003513909-A 2003-04-15 JP claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP claimed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP disclosed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO disclosed