SCHEMBL6936875

SCHEMBL6936875

CCCc1[c]c(CCC)cc(C(=O)C(OC(C)=O)c2c(CCC)cc(CCC)cc2CCC)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
PPARG P37231 6/20 0.34
PPARA Q07869 6/20 0.34
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
MTNR1A P48039 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
SCHEMBL5704698 0.73
SCHEMBL6936615 0.70 PPARG (0.36) PPARGPPARAPTPN1PTPN11
SCHEMBL5704708 0.67 PPARG (0.34) PPARGPPARAPTPN1PTPN11
SCHEMBL147801 0.65 CNR1 (0.37) ALDH1A1CYP3A4PTPN1PTPN11
SCHEMBL18242227 0.65 PTPN1 (0.31) PTPN1PTPN11
SCHEMBL18242211 0.63 PTPN1 (0.32) ALDH1A1CYP3A4PTPN1PTPN11
SCHEMBL18242176 0.61 PTPN1 (0.33) ALDH1A1CYP3A4PTPN1PTPN11
SCHEMBL5048782 0.61 PTGS2 (0.33) CYP3A4
SCHEMBL16961649 0.61 PTPN1 (0.46) ALDH1A1CYP3A4PTPN1PTPN11MTNR1A
SCHEMBL7299326 0.60 PTPN1 (0.36) ALDH1A1CYP3A4PTPN1PTPN11MTNR1A

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