SCHEMBL31448470

SCHEMBL31448470

O=C(O)CCCCOc1ccc(OCCCCC(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.73
ALB P02768 1/20 0.63
L3MBTL1 Q9Y468 5/20 0.62
FFAR1 O14842 3/20 0.61
PLA2G4B P0C869 3/20 0.59
GAA P10253 1/20 0.57
SERPINE1 P05121 1/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL29141429 0.98 PPARA (0.71) PPARAALBL3MBTL1FFAR1PLA2G4B
SCHEMBL31448424 0.98 PPARA (0.71) PPARAALBL3MBTL1FFAR1PLA2G4B
SCHEMBL21073528 0.98 PPARA (0.71) PPARAALBL3MBTL1FFAR1PLA2G4B
SCHEMBL31448501 0.93 PPARA (0.65) PPARAALBL3MBTL1FFAR1PLA2G4B
SCHEMBL8053907 0.92 PPARA (0.65) PPARAALBL3MBTL1FFAR1PLA2G4B
SCHEMBL1162023 0.91 PPARA (0.74) PPARAFFAR1SERPINE1HDAC1HDAC2
SCHEMBL2230125 0.90 PPARA (0.73) PPARAL3MBTL1PLA2G4B
SCHEMBL7045198 0.90 PPARA (0.63) PPARAALBL3MBTL1FFAR1PLA2G4B
SCHEMBL4257143 0.90 L3MBTL1 (0.79) PPARAALBL3MBTL1FFAR1PLA2G4B
SCHEMBL2158826 0.90 ALB (0.68) PPARAALBPLA2G4B

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
CN-119913356-A Extractant, preparation method and application thereof 浙江大学衢州研究院 2025-05-02 CN claimed
CN-119913356-A Extractant, preparation method and application thereof 浙江大学衢州研究院 2025-05-02 CN disclosed
CN-119913356-A Extractant, preparation method and application thereof 浙江大学衢州研究院 2025-05-02 CN disclosed