SCHEMBL5014480

SCHEMBL5014480

CCC(C)c1ccc(OC(c2ccc(C(C)CC)cc2C(C)CC)C(CO)(CO)CO)c(C(C)CC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ALOX12 P18054 1/20 0.34
RORC P51449 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ABCB11 O95342 1/20 0.32
SLC7A5 Q01650 1/20 0.32
BCHE P06276 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
SCHEMBL5014102 0.80 ACHE (0.33) GAAMAPTRORCBCHETYR
SCHEMBL28600203 0.74 THRB (0.30) RORC
SCHEMBL8446638 0.74 TYR (0.38) TYRHIF1A
SCHEMBL11685349 0.73 ALDH1A1 (0.50) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL5014492 0.69 ALDH1A1 (0.41) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL27999269 0.68 INPPL1 (0.41) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL10413279 0.68 ALDH1A1 (0.41) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL1787273 0.67 ALDH1A1 (0.39) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL10413277 0.67 ALDH1A1 (0.39) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL11880674 0.67 ALDH1A1 (0.47) ALDH1A1GAAUSP2PKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023112812-A1 FLAME RETARDING COMPOSITION, FLAME-RETARDANT RESIN COMPOSITION, AND MOLDED ARTICLE 株式会社ADEKA 2023-06-22 WO disclosed
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