SCHEMBL863137

SCHEMBL863137

CCC(C)(C)Oc1cccc(OC(C)(C)CC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAOB P27338 1/20 0.33
SLC5A1 P13866 1/20 0.33
FBP1 P09467 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL13178937 0.94 KIF11 (0.39) PPARGPPARATP53CYP3A4NPC1
SCHEMBL25954844 0.90 PPARG (0.33) PPARGPPARATP53CYP3A4NPC1
SCHEMBL10602295 0.88 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRLMNAACHE
SCHEMBL12853903 0.88 ACHE (0.50) ALDH1A1TDP1MAOBLMNAACHE
SCHEMBL15458085 0.86 CYP3A4 (0.56) TP53CYP3A4NPC1POLBRAB9A
SCHEMBL15356135 0.86 NPC1 (0.43) PPARGPPARACYP3A4NPC1POLB
SCHEMBL183720 0.84 LTA4H (0.40) PPARGPPARAALDH1A1TSHRTDP1
SCHEMBL25047170 0.83 GGPS1 (0.43) CYP3A4CYP2C9MAOBSLC5A1CYP1A2
SCHEMBL15146324 0.83 L3MBTL1 (0.50) PPARGPPARAPOLBALDH1A1TSHR
SCHEMBL11659680 0.83 PPARA (0.39) PPARGPPARATP53CYP3A4TSHR

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
US-20120235089-A1 LIQUID CRYSTAL POLYESTER RESIN COMPOSITION JX NIPPON OIL & ENERGY CORPORATION (JP) 2012-09-20 US disclosed
EP-1529632-B1 Multilayered articles and method of manufacture thereof SABIC INNOVATIVE PLASTICS IP (NL) 2012-09-05 EP disclosed
US-8142683-B2 Liquid crystal polyester resin composition for camera module JX NIPPON OIL & ENERGY CORPORATION (JP) 2012-03-27 US disclosed
US-20110114883-A1 LIQUID CRYSTAL POLYESTER RESIN COMPOSITION FOR CAMERA MODULE ENEOS MATERIALS CORPORATION (JP) 2011-05-19 US disclosed
EP-1725610-B1 BIOCIDAL COMPOSITIONS AND METHODS OF MAKING THEREOF GEN ELECTRIC (US) 2008-01-09 EP disclosed