SCHEMBL28443126

SCHEMBL28443126

CC1=CCc2cc(O)c(O)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
G6PD P11413 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCR6 P51684 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.34
FYN P06241 2/20 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
SCHEMBL2863688 0.73 PGR (0.33)
SCHEMBL2959464 0.70 BCHE (0.32)
SCHEMBL29248724 0.70 MAPT (0.48) KDM4EALDH1A1CYP3A4MAPTGAA
SCHEMBL8163996 0.68 NPSR1 (0.31) NPSR1
SCHEMBL29427206 0.68 METAP1 (0.41) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL21694411 0.68 METAP1 (0.41) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL26035506 0.67 NAMPT (0.36) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8938913 0.66 ALOX5 (0.41) KDM4EALDH1A1CYP3A4MAPTPKM
SCHEMBL19151696 0.65 CYP3A4 (0.39) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL2963487 0.65 METAP1 (0.39) ALDH1A1MAPK1

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-106928061-B Continuous process for the carbonylation of ethylene 璐彩特国际英国有限公司 2020-08-28 CN disclosed