SCHEMBL31448501

SCHEMBL31448501

O=C(O)CCCOc1ccc(OCCCC(=O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.65
L3MBTL1 Q9Y468 3/20 0.64
FFAR1 O14842 4/20 0.59
FFAR4 Q5NUL3 4/20 0.58
PLA2G4B P0C869 1/20 0.57
LMNA P02545 1/20 0.56
ALB P02768 1/20 0.56
SERPINE1 P05121 1/20 0.55
CYSLTR2 Q9NS75 1/20 0.55
CYSLTR1 Q9Y271 1/20 0.55
MMP2 P08253 1/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL31448470 0.93 PPARA (0.73) PPARAL3MBTL1FFAR1PLA2G4BLMNA
SCHEMBL29089242 0.92 PLA2G4B (0.68) PPARAL3MBTL1PLA2G4BLMNAGAA
SCHEMBL1271045 0.92 ESR1 (0.59) PPARAL3MBTL1FFAR1FFAR4ALB
SCHEMBL21073528 0.91 PPARA (0.71) PPARAL3MBTL1FFAR1PLA2G4BALB
SCHEMBL29141429 0.91 PPARA (0.71) PPARAL3MBTL1FFAR1PLA2G4BALB
SCHEMBL31448424 0.91 PPARA (0.71) PPARAL3MBTL1FFAR1PLA2G4BALB
SCHEMBL295889 0.91 PPARA (0.66) PPARAFFAR1FFAR4
SCHEMBL1822003 0.90 FFAR1 (0.58) PPARAL3MBTL1FFAR1FFAR4PLA2G4B
SCHEMBL7959589 0.90 PPARA (0.56) PPARAL3MBTL1FFAR1FFAR4PLA2G4B
SCHEMBL6883728 0.90 L3MBTL1 (0.82) PPARAL3MBTL1FFAR1FFAR4PLA2G4B

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