SCHEMBL30779121

SCHEMBL30779121

CCCCCCc1c(C(=O)O)cc(N(CC)CC)c(O)c1C(=O)c1ccccc1.CCc1ccc(C(=O)OC(=O)c2ccccc2)c(O)c1CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.34
STAT3 P40763 1/20 0.34
PPARG P37231 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KAT8 Q9H7Z6 4/20 0.32
BID P55957 3/20 0.32
MCL1 Q07820 3/20 0.32
BCL2L1 Q07817 2/20 0.32
BAK1 Q16611 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RARB P10826 1/20 0.32
EP300 Q09472 1/20 0.32
KAT2A Q92830 1/20 0.32
KAT2B Q92831 1/20 0.32

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
SCHEMBL30779137 0.91 TSHR (0.40) KDM4EALDH1A1POLB
SCHEMBL29510566 0.86 STAT3 (0.42) PPARASTAT3PPARGKDM4EALDH1A1
SCHEMBL288470 0.86 STAT3 (0.42) PPARASTAT3PPARGKDM4EALDH1A1
Benzoic Acid SCHEMBL30622599 0.84 STAT3 (0.41) PPARASTAT3PPARGALDH1A1KAT8
Benzoic Acid Hexyl Ester SCHEMBL30779156 0.83 ESR1 (0.45) PPARAALDH1A1MEN1KMT2A
Dibenzoylmethane SCHEMBL30439938 0.81 STAT3 (0.39) PPARASTAT3KAT8MEN1KMT2A
SCHEMBL31473126 0.80 TSHR (0.44) PPARAKDM4EALDH1A1POLBMEN1
SCHEMBL30995492 0.79 TSHR (0.46) PPARAKDM4EALDH1A1POLBMEN1
SCHEMBL30779151 0.75 ALDH1A1 (0.41) PPARASTAT3PPARGKDM4EALDH1A1
SCHEMBL29000470 0.75 LMNA (0.41) KDM4EALDH1A1GAAMEN1KMT2A

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-113056255-B Ultraviolet screening agent composition comprising cerium oxide particles having surface defects and method for preparing the same 秀博瑞殷株式公社 2023-12-08 CN disclosed