SCHEMBL29043248

SCHEMBL29043248

O=C(COC(=O)c1ccccc1)c1ccccc1.[NaH]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.77
NPC1 O15118 6/20 0.77
HPGD P15428 2/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
ESR1 P03372 1/20 0.67
ESR2 Q92731 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 2/20 0.62
ALOX5 P09917 1/20 0.62
GAA P10253 2/20 0.62
ALDH1A1 P00352 2/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
LMNA P02545 1/20 0.62
TDP1 Q9NUW8 2/20 0.59
KDM4E B2RXH2 2/20 0.58
TSHR P16473 1/20 0.57
KMT2A Q03164 2/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL83331 0.98 RAB9A (0.79) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL22319774 0.87 RAB9A (0.71) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL16398364 0.87 RAB9A (1.00) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL11273679 0.87 RAB9A (1.00) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL16398834 0.87 RAB9A (0.71) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL27832225 0.87 RAB9A (0.71) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL5454957 0.86 RAB9A (0.69) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL28819015 0.85 TDP1 (0.61) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL11686421 0.84 RAB9A (0.67) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL6777691 0.84 RAB9A (0.71) RAB9ANPC1HPGDL3MBTL1ESR1

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
CN-116634991-A Metal chelate cosmetic compositions 欧莱雅 2023-08-22 CN disclosed
CN-116348090-A Slurry for reducing lipid peroxidation 欧莱雅 2023-06-27 CN disclosed