SCHEMBL6940643

SCHEMBL6940643

CCCc1[c]c(CCC)cc(C(=O)Cc2c(CCC)cccc2CCC)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.40
PPARA Q07869 14/20 0.40
CXCR3 P49682 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HIF1A Q16665 1/20 0.33
DAO P14920 1/20 0.32
IAPP P10997 1/20 0.32

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
SCHEMBL6936615 0.85 PPARG (0.36) PPARGPPARALMNAMAPTXBP1
SCHEMBL6940834 0.70 FABP3 (0.44) PPARGPPARA
SCHEMBL5704723 0.69 PPARG (0.33) PPARGPPARA
SCHEMBL11074276 0.67 CYP4F2 (0.38) PPARGPPARALTB4RLTB4R2DAO
SCHEMBL28455439 0.66 SMN1; SMN2 (0.47) PPARGPPARALMNAMAPTHIF1A
SCHEMBL185493 0.65 KCNH2 (0.33)
SCHEMBL1452942 0.65 ALDH1A1 (0.41) LTB4RLTB4R2DAOIAPP
Hydrogen Peroxide SCHEMBL28975560 0.64 GABRA1 (0.48) PPARGPPARALTB4RLTB4R2DAO
SCHEMBL1005994 0.64 GABRA1 (0.38) LTB4RLTB4R2DAOIAPP
SCHEMBL20954028 0.64 KMT2A (0.46) PPARGPPARALTB4RLTB4R2

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