SCHEMBL29601608

SCHEMBL29601608

CC(=O)c1cc(C(=O)c2ccc(C(=O)OOC(C)(C)C)c(C(C)=O)c2)ccc1C(=O)OOC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ELANE P08246 3/20 0.35
SIRT1 Q96EB6 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL29361201 0.92 ALDH1A1 (0.51) ALDH1A1TDP1HSD17B10TSHRL3MBTL1
SCHEMBL32689847 0.92 ALDH1A1 (0.51) ALDH1A1TDP1HSD17B10TSHRL3MBTL1
SCHEMBL81645 0.92 ALDH1A1 (0.51) ALDH1A1TDP1HSD17B10TSHRL3MBTL1
SCHEMBL10389027 0.88 TDP1 (0.51) ALDH1A1TDP1HSD17B10TSHRL3MBTL1
SCHEMBL476566 0.88 ALDH1A1 (0.56) ALDH1A1TDP1HSD17B10TSHRL3MBTL1
SCHEMBL10021853 0.86 ALDH1A1 (0.46) ALDH1A1TDP1HSD17B10TSHRCYP3A4
SCHEMBL476529 0.86 ALDH1A1 (0.46) ALDH1A1TDP1HSD17B10TSHRCYP3A4
SCHEMBL1005452 0.86 ALDH1A1 (0.46) ALDH1A1TDP1HSD17B10TSHRCYP3A4
SCHEMBL29413740 0.86 ALDH1A1 (0.46) ALDH1A1TDP1HSD17B10TSHRCYP3A4
SCHEMBL29413756 0.86 ALDH1A1 (0.46) ALDH1A1TDP1HSD17B10TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022092098-A1 RADICAL GENERATION FILM-FORMING COMPOSITION, RADICAL GENERATION FILM, METHOD FOR MANUFACTURING LIQUID CRYSTAL DISPLAY ELEMENT, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2022-05-05 WO disclosed
WO-2022092088-A1 COMPOSITION FOR FORMING RADICAL-GENERATING FILM, RADICAL-GENERATING FILM, METHOD FOR PRODUCING LIQUID CRYSTAL DISPLAY ELEMENT, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2022-05-05 WO disclosed