SCHEMBL28295249

SCHEMBL28295249

C=C(C)C(=O)OC(CC)Oc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
HSD17B10 Q99714 2/20 0.40
PGR P06401 1/20 0.40
GAA P10253 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
OGG1 O15527 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL27676257 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTSHRTDP1
SCHEMBL513071 0.82 CA1 (0.36) ALDH1A1KDM4EHPGDTSHRTDP1
SCHEMBL15327019 0.82 CYP1A2 (0.47) ALDH1A1KDM4EHPGDTSHRTDP1
SCHEMBL4202070 0.79 CYP1A2 (0.49) ALDH1A1KDM4EHPGDTSHRTDP1
SCHEMBL11341214 0.79 HPGD (0.36) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL1404301 0.77 MTNR1A (0.42) ALDH1A1TSHRPPARGPPARAGAA
SCHEMBL67480 0.77 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDTSHRTDP1
SCHEMBL29373404 0.77 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDTSHRTDP1
SCHEMBL4204682 0.76 CYP1A2 (0.46) ALDH1A1KDM4EHPGDTSHRTDP1
SCHEMBL4191426 0.76 CYP1A2 (0.46) ALDH1A1KDM4EHPGDTSHRTDP1

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-109790366-A The manufacturing method of (methyl) acrylic copolymer, resin combination, its formed body and formed body 三菱瓦斯化学株式会社 2019-05-21 CN disclosed