SCHEMBL6051283

SCHEMBL6051283

CCCCCCCCCCC(CCCCCCC(=O)OCCOc1ccc(C2C(=O)Oc3c2cccc3C(C)(C)C)cc1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.35
TLR2 O60603 3/20 0.34
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
S1PR4 O95977 2/20 0.33
DGKA P23743 1/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 1/20 0.32
S1PR5 Q9H228 1/20 0.32
P2RY10 O00398 1/20 0.32
CNR1 P21554 2/20 0.32
PLA2G4B P0C869 2/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 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
SCHEMBL26025226 0.82 CNR2 (0.37) CNR2TLR2S1PR1S1PR3S1PR4
SCHEMBL39389 0.82 DGKA (0.37) CNR2TLR2S1PR1S1PR3S1PR4
SCHEMBL29880580 0.82 DGKA (0.37) CNR2TLR2S1PR1S1PR3S1PR4
SCHEMBL29413921 0.82 DGKA (0.37) CNR2TLR2S1PR1S1PR3S1PR4
SCHEMBL21176407 0.82 DGKA (0.37) CNR2TLR2S1PR1S1PR3S1PR4
SCHEMBL7576873 0.80 DGKA (0.38) CNR2TLR2S1PR1S1PR3S1PR4
SCHEMBL984668 0.79 DGKA (0.34) CNR2TLR2S1PR1S1PR3S1PR4
SCHEMBL12679255 0.77 MEN1 (0.35) PPARGPPARA
SCHEMBL13525823 0.75 ALDH2 (0.35) CNR2TLR2PPARG
SCHEMBL14175644 0.74 ALDH2 (0.34) CNR2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680463-A2 STABILIZER COMPOSITIONS FOR HALOGEN CONTAINING POLYMERS Ciba SC Holding AG (CH) 2006-07-19 EP disclosed
WO-2005049715-A2 STABILIZER COMPOSITIONS FOR HALOGEN CONTAINING POLYMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-06-02 WO disclosed