SCHEMBL6026957

SCHEMBL6026957

CC(C)(CCCOc1cccc(O)c1C=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.50
TTR P02766 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C8 P10632 1/20 0.50
CHRM1 P11229 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
ADRA1A P35348 1/20 0.50
PPARG P37231 1/20 0.50
HTR2B P41595 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CISD1 Q9NZ45 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
LTB4R Q15722 1/20 0.39
PTPN1 P18031 1/20 0.38

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
SCHEMBL11208139 0.85 CYP4F2 (0.42) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL1947029 0.82 NFKB1 (0.53) CYP1A2CYP2C8CYP2C9SMN1; SMN2TDP1
SCHEMBL6026502 0.79 TSHR (0.44) PPARATSHRSMN1; SMN2TDP1LTB4R
SCHEMBL15357251 0.79 GAA (0.56) CYP1A2CYP2C8CYP2C9HTR2BSMN1; SMN2
SCHEMBL11096802 0.79 PPARA (0.62) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11098896 0.79 PPARA (0.58) PPARATTRCYP1A2CYP2C8CHRM1
Velaresol SCHEMBL61907 0.78 PPARA (0.44) PPARATSHRSMN1; SMN2LTB4RJAK2
SCHEMBL11382179 0.77 GAA (0.51) CYP1A2CYP2C8CYP2C9HTR2BSMN1; SMN2
SCHEMBL15349839 0.77 LMNA (0.47) CYP1A2CYP2C8CYP2C9SMN1; SMN2TDP1
SCHEMBL6026140 0.77 LTB4R (0.45) PPARASMN1; SMN2LTB4RJAK2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110872228-A Compound of substituted phenol ether and intermediate and preparation method thereof 湖北普星特化学试剂有限公司 2020-03-10 CN claimed
US-7074770-B1 Method of DNA vaccination SMITHKLINE BEECHAM CORPORATION (US) 2006-07-11 US claimed
CN-1326358-A Method of DNA vaccination GLAXO GROUP LTD (GB) 2001-12-12 CN claimed
EP-1107785-A1 METHOD OF DNA VACCINATION GLAXO GROUP LIMITED (GB) 2001-06-20 EP claimed
WO-2000012121-A1 METHOD OF DNA VACCINATION GLAXO GROUP LIMITED (GB) 2000-03-09 WO claimed
US-4410537-A 3-HYDROXY-2-FORMYLPHENOXYPENTANOIC ACID DERIVATIVES BURROUGHTS WELLCOME CO. (US) 1983-10-18 US claimed
EP-0022229-B1 SUBSTITUTED PHENOL ETHERS, THEIR PREPARATION, INTERMEDIATES THEREFOR, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THE PREPARATION THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1982-12-08 EP claimed
EP-0022229-A1 Substituted phenol ethers, their preparation, intermediates therefor, pharmaceutical compositions containing them and the preparation thereof THE WELLCOME FOUNDATION LIMITED (GB) 1981-01-14 EP claimed
CN-110872228-A Compound of substituted phenol ether and intermediate and preparation method thereof 湖北普星特化学试剂有限公司 2020-03-10 CN disclosed
US-7074770-B1 Method of DNA vaccination SMITHKLINE BEECHAM CORPORATION (US) 2006-07-11 US disclosed
CN-1326358-A Method of DNA vaccination GLAXO GROUP LTD (GB) 2001-12-12 CN disclosed
EP-1107785-A1 METHOD OF DNA VACCINATION GLAXO GROUP LIMITED (GB) 2001-06-20 EP disclosed
WO-2000012121-A1 METHOD OF DNA VACCINATION GLAXO GROUP LIMITED (GB) 2000-03-09 WO disclosed
EP-0614357-A1 IMMUNOPOTENTIATORY AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-09-14 EP disclosed
WO-1994007479-A2 IMMUNOPOTENTIATORY AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-04-14 WO disclosed
US-4410537-A 3-HYDROXY-2-FORMYLPHENOXYPENTANOIC ACID DERIVATIVES BURROUGHTS WELLCOME CO. (US) 1983-10-18 US disclosed
EP-0022229-B1 SUBSTITUTED PHENOL ETHERS, THEIR PREPARATION, INTERMEDIATES THEREFOR, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THE PREPARATION THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1982-12-08 EP disclosed
EP-0022229-A1 Substituted phenol ethers, their preparation, intermediates therefor, pharmaceutical compositions containing them and the preparation thereof THE WELLCOME FOUNDATION LIMITED (GB) 1981-01-14 EP disclosed