SCHEMBL5014097

SCHEMBL5014097

CCC(C)c1cc(C(C)CC)c(OP(Oc2c(C(C)CC)cc(C(C)CC)cc2C(C)CC)Oc2c(C(C)CC)cc(C(C)CC)cc2C(C)CC)c(C(C)CC)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RORC P51449 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL29402818 0.82 PPARA (0.38) PPARATSHRALDH1A1USP2GAA
SCHEMBL5014492 0.77 ALDH1A1 (0.41) TSHRALDH1A1USP2GAAPKM
SCHEMBL1836944 0.75 TSHR (0.48) PPARATSHRALDH1A1USP2GAA
Tromethamine SCHEMBL5014094 0.75 RORC (0.34) PPARAALDH1A1USP2GAAPKM
SCHEMBL8863590 0.73 TSHR (0.43) PPARATSHRALDH1A1RORC
SCHEMBL13987112 0.73 ALDH1A1 (0.38) TSHRALDH1A1USP2GAAPKM
SCHEMBL5703484 0.73 TSHR (0.40) PPARATSHRALDH1A1USP2GAA
SCHEMBL11684933 0.73 TSHR (0.40) TSHRALDH1A1USP2GAAPKM
SCHEMBL5014593 0.71 GABRA1 (0.43)
SCHEMBL11686432 0.71 ALDH1A1 (0.46) TSHRALDH1A1USP2GAAPKM

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
EP-1947725-A2 Polymer electrolyte composition and fuel cell Sumitomo Chemical Company, Limited (JP) 2008-07-23 EP disclosed
EP-1289041-B1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL CO (JP) 2008-03-12 EP disclosed
US-20060257706-A1 POLYMER ELECTROLYTE COMPOSITION AND FUEL CELL HIDAKA YASUAKI 2006-11-16 US disclosed
US-20030113605-A1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-19 US disclosed
EP-1289041-A2 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-05 EP disclosed