SCHEMBL29966261

SCHEMBL29966261

CC(C)(C)c1cc(CC(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)(C(=O)O)C(=O)O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
GAA P10253 2/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
NR5A2 O00482 1/20 0.43
NR5A1 Q13285 1/20 0.43
CYP2C19 P33261 6/20 0.42
CYP2C9 P11712 5/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 3/20 0.42
TSHR P16473 3/20 0.42
HSPA5 P11021 2/20 0.41
HIF1A Q16665 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL7649239 1.00 GLRA3 (0.43) GLRA3GLRBALDH1A1MAPK1NPSR1
SCHEMBL27968591 0.90 CYP1A2 (0.45) GLRA3GLRBALDH1A1MAPK1NPSR1
SCHEMBL1719554 0.87 NR5A2 (0.48) GLRA3GLRBALDH1A1MAPK1NPSR1
SCHEMBL17500076 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1NPSR1GAAXBP1
SCHEMBL11572741 0.80 NR5A2 (0.42) NR5A2NR5A1CYP2C19CYP2C9CYP1A2
SCHEMBL6568740 0.80 NR5A2 (0.42) NR5A2NR5A1CYP2C19CYP2C9CYP1A2
SCHEMBL5605119 0.80 RXRA (0.48) GLRA3GLRBALDH1A1MAPK1NPSR1
SCHEMBL28799870 0.79 GLRA3 (0.42) GLRA3GLRBALDH1A1MAPK1NPSR1
SCHEMBL29404283 0.79 HSPA5 (0.55) GLRA3GLRBALDH1A1MAPK1NPSR1
SCHEMBL8028498 0.79 HSPA5 (0.55) GLRA3GLRBALDH1A1MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4314141-A1 STABILIZER MIXTURE BASF SE (DE) 2024-02-07 EP disclosed
WO-2022207787-A1 STABILIZER MIXTURE BASF SE (DE) 2022-10-06 WO disclosed
CN-107250267-B Corrosion resistant flame retardant formulations for thermoplastic polymers 科莱恩国际有限公司 2022-10-04 CN disclosed