SCHEMBL9818192

SCHEMBL9818192

Cc1cc(C2(c3ccc(OCCO)c(C)c3)CCCCCCCCCCC2)ccc1OCCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.54
ESR1 P03372 5/20 0.54
ESR2 Q92731 5/20 0.54
ACHE P22303 1/20 0.46
LMNA P02545 4/20 0.45
ALOX12 P18054 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 3/20 0.44
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE7B Q9NP56 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 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
SCHEMBL5493870 1.00 PPARA (0.54) PPARAESR1ESR2ACHELMNA
SCHEMBL31397827 1.00 PPARA (0.54) PPARAESR1ESR2ACHELMNA
SCHEMBL31397826 1.00 PPARA (0.54) PPARAESR1ESR2ACHELMNA
SCHEMBL7908966 1.00 PPARA (0.54) PPARAESR1ESR2ACHELMNA
SCHEMBL7907552 1.00 PPARA (0.54) PPARAESR1ESR2ACHELMNA
SCHEMBL7907564 0.98 ESR1 (0.53) PPARAESR1ESR2ACHELMNA
SCHEMBL7912738 0.83 PPARA (0.46) PPARAESR1ESR2LMNAALOX12
SCHEMBL7906118 0.83 PPARA (0.46) PPARAESR1ESR2LMNAALOX12
SCHEMBL5495930 0.83 PPARA (0.46) PPARAESR1ESR2LMNAALOX12
SCHEMBL7908944 0.82 PPARA (0.43) PPARAESR1ESR2ACHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021005913-A1 CURABLE COMPOSITION, CURED OBJECT, OVERCOAT FILM, AND FLEXIBLE WIRING BOARD AND PRODUCTION METHOD THEREFOR 日本ポリテック株式会社 2021-01-14 WO disclosed
EP-0271649-B1 ESTERS OF 3-TERT.-BUTYL- OR 3-TERT.-BUTYL-5-ALKYL-4-HYDROXYPHENYL(ALKAN)OIC ACIDS WITH ETHOXYLATES OF BIS-(4- OR 2-HYDROXYPHENYL) ALKANES, OXIDES, SULFIDES AND SULFONES OF TRIS-(4-HYDROXYPHENYL) ALKANES AND OF 1,3,5-BIS-(4-HYDROXYPHENYL-ISOPROPYLIDENE) ARYLENE, THEIR PREPARATION AND USE AS STABILIZERS HÜLS AKTIENGESELLSCHAFT (DE) 1991-10-16 EP disclosed
US-4912249-A Esters of 3-tert-butyl or 3-tert-butyl-5-alkyl-4-hydroxylphenyl(alkane) carboxylic acids HUELS AKTIENGESELLSCHAFT (DE) 1990-03-27 US disclosed
EP-0271649-A2 Esters of 3-tert.-butyl- or 3-tert.-butyl-5-alkyl-4-hydroxyphenyl(alkan)oic acids with ethoxylates of bis-(4- or 2-hydroxyphenyl) alkanes, oxides, sulfides and sulfones of tris-(4-hydroxyphenyl) alkanes and of 1,3,5-bis-(4-hydroxyphenyl-isopropylidene) arylene, their preparation and use as stabilizers HÜLS AKTIENGESELLSCHAFT (DE) 1988-06-22 EP disclosed