SCHEMBL28117638

SCHEMBL28117638

CC(=O)CC(=O)Oc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
HSD17B10 Q99714 3/20 0.61
PGR P06401 1/20 0.61
GAA P10253 1/20 0.61
PTGS1 P23219 1/20 0.61
MAPK1 P28482 1/20 0.61
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
OGG1 O15527 1/20 0.49
TSHR P16473 1/20 0.47
NR2E1 Q9Y466 2/20 0.46
MMP2 P08253 1/20 0.46
HTR1B P28222 3/20 0.45
HTR1D P28221 1/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL10347205 0.90 ALDH1A1 (0.64) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL31453778 0.85 ALDH1A1 (0.55) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL10347207 0.85 ALDH1A1 (0.60) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL448000 0.83 ALDH1A1 (0.60) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL5842272 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL29609999 0.83 ALDH1A1 (0.60) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL6835002 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL11370297 0.82 ALDH1A1 (0.59) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL31053167 0.81 ALDH1A1 (0.58) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL29373398 0.81 ALDH1A1 (0.58) ALDH1A1HSD17B10PGRGAAPTGS1

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-103633251-B Light takes out parts and applies its organic electroluminescence device and preparation method 固安翌光科技有限公司 2016-12-21 CN disclosed