SCHEMBL7057869

SCHEMBL7057869

O=C(O)CC1CC(C(=O)O)Oc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
PPARD Q03181 4/20 0.40
FFAR1 O14842 3/20 0.38
PPARA Q07869 1/20 0.38
ABCB1 P08183 2/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
GRM2 Q14416 2/20 0.36
GRM3 Q14832 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM8 O00222 1/20 0.36
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
GRM7 Q14831 1/20 0.36

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
SCHEMBL9818765 0.82 AKR1B1 (0.45) PPARGPPARDFFAR1PPARAABCB1
SCHEMBL9818767 0.82 AKR1B1 (0.45) PPARGPPARDFFAR1PPARAABCB1
SCHEMBL9818847 0.81 FFAR1 (0.46) PPARGPPARDFFAR1TP53L3MBTL1
SCHEMBL9818843 0.81 FFAR1 (0.46) PPARGPPARDFFAR1TP53L3MBTL1
SCHEMBL9819041 0.79 HTT (0.40) PPARGPPARDFFAR1PPARAHTT
SCHEMBL9819039 0.79 HTT (0.40) PPARGPPARDFFAR1PPARAHTT
SCHEMBL9818998 0.78 LMNA (0.39) PPARGPPARDFFAR1PPARAL3MBTL1
SCHEMBL9819001 0.78 LMNA (0.39) PPARGPPARDFFAR1PPARAL3MBTL1
SCHEMBL9818800 0.78 PPARG (0.38) PPARGPPARDFFAR1PPARAHTT
SCHEMBL9818815 0.78 PPARG (0.38) PPARGPPARDFFAR1PPARAHTT

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-2022138632-A1 HERBICIDE COMPOSITION AND WEED CONTROLLING METHOD 住友化学株式会社 2022-06-30 WO claimed
EP-1453377-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES Bayer CropScience AG (DE) 2004-09-08 EP claimed
WO-2003047346-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-06-12 WO claimed
WO-2022138632-A1 HERBICIDE COMPOSITION AND WEED CONTROLLING METHOD 住友化学株式会社 2022-06-30 WO disclosed