SCHEMBL10066355

SCHEMBL10066355

C=CC(=O)OC(C)(CC)OCCC(C)(CC)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.40
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PPARG P37231 7/20 0.33
PPARA Q07869 6/20 0.32
TEAD1 P28347 1/20 0.31
TEAD3 Q99594 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
THRA P10827 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL14767360 0.89 THRB (0.41) THRBCYP2C19CYP1A2CYP2D6PPARG
SCHEMBL10066511 0.84 THRB (0.55) THRBCYP2C19CYP1A2CYP2D6PPARG
SCHEMBL14767357 0.81 PPARG (0.37) THRBCYP2C19CYP1A2CYP2D6PPARG
SCHEMBL13497560 0.81 THRB (0.36) THRBCYP2C19CYP1A2CYP2D6PPARG
SCHEMBL10066512 0.81 PPARG (0.36) THRBCYP2C19CYP1A2CYP2D6PPARG
SCHEMBL10061373 0.79 THRB (0.40) THRBCYP2C19CYP1A2CYP2D6PPARG
SCHEMBL28865353 0.78 THRB (0.43) THRBCYP2C19PPARGPPARATEAD1
SCHEMBL18434813 0.77 PPARG (0.32) THRBPPARGPPARA
SCHEMBL13211521 0.77 THRB (0.37) THRBCYP2C19CYP1A2CYP2D6ALDH1A1
SCHEMBL2768277 0.76 THRB (0.43) THRBCYP2C19PPARGPPARAALDH1A1

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-2415607-A9 Inkjet recording method, and printed material FUJIFILM Corporation (JP) 2012-07-11 EP disclosed
EP-2415607-A1 Inkjet recording method, and printed material FUJIFILM Corporation (JP) 2012-02-08 EP disclosed