SCHEMBL30839637

SCHEMBL30839637

CC(=O)c1cccc(NCCc2ccc(OC(C)(C)C(=O)O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.52
PPARG P37231 9/20 0.52
PPARD Q03181 2/20 0.52
ALDH1A1 P00352 1/20 0.52
FABP2 P12104 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ADRB3 P13945 3/20 0.51
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL29079364 0.83 ALDH1A1 (0.53) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL29079373 0.83 ALDH1A1 (0.55) PPARAALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL30624242 0.83 ALDH1A1 (0.55) PPARAALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL29079350 0.82 PPARG (0.50) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL30624441 0.82 PPARG (0.50) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL29079323 0.81 ADRB3 (0.56) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL2517277 0.80 PPARG (0.60) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL9274728 0.80 PPARA (0.58) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL2656816 0.80 PPARA (0.54) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL29079334 0.79 PPARG (0.62) PPARAPPARGPPARDALDH1A1FABP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117417279-A Phenoxyacetic acid compound, isomer thereof, pharmaceutically acceptable salt or solvate thereof, pharmaceutical composition and medical application 中国人民解放军军事科学院军事医学研究院 2024-01-19 CN disclosed