SCHEMBL6936626

SCHEMBL6936626

CCCc1cc(CCC)c(C(=O)C(NS(=O)(=O)O)c2c(CCC)cccc2CCC)c(CCC)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.33
PTPN1 P18031 2/20 0.32
PTPN11 Q06124 2/20 0.32
MTNR1A P48039 1/20 0.32
METAP2 P50579 1/20 0.32
NR3C1 P04150 2/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
NLRP3 Q96P20 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
PPARA Q07869 1/20 0.30
GAA P10253 1/20 0.30
PLA2G7 Q13093 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
SCHEMBL6940243 0.81 FABP3 (0.39) NR3C1GAA
SCHEMBL5704723 0.80 PPARG (0.33) KAT6AMTNR1APPARA
SCHEMBL5704698 0.77
SCHEMBL6942637 0.77 PPARG (0.33) PPARA
SCHEMBL8720139 0.65 FFAR4 (0.43) KAT6APTPN1PTPN11MTNR1AMETAP2
SCHEMBL3633717 0.62 FLT1 (0.34) KAT6APTPN1PTPN11MTNR1AMETAP2
SCHEMBL1952267 0.62 CA2 (0.37) PTPN1PTPN11MTNR1AFFAR4
SCHEMBL5704754 0.62 KAT6A (0.34) KAT6AMTNR1AMETAP2PLA2G7
SCHEMBL5704708 0.61 PPARG (0.34) KAT6APTPN1PTPN11PPARA
SCHEMBL11878744 0.61 TTR (0.41) KAT6AMTNR1AMETAP2NR3C1FFAR4

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
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