SCHEMBL28020518

SCHEMBL28020518

CCOC(=O)c1ccccc1OC(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
IRAK4 Q9NWZ3 1/20 0.60
ALDH1A1 P00352 8/20 0.56
HSD17B10 Q99714 2/20 0.56
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 4/20 0.49
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL17560230 0.87 ALDH1A1 (0.67) TSHRIRAK4ALDH1A1HSD17B10IDO1
SCHEMBL11341203 0.86 TSHR (0.59) TSHRIRAK4ALDH1A1HSD17B10TDP1
SCHEMBL22979125 0.85 TSHR (0.62) TSHRALDH1A1HSD17B10TDP1KDM4E
SCHEMBL28020067 0.85 ALDH1A1 (0.72) TSHRIRAK4ALDH1A1IDO1TDO2
SCHEMBL23332021 0.84 TSHR (0.69) TSHRIRAK4ALDH1A1HSD17B10TDP1
SCHEMBL4450648 0.83 TSHR (0.56) TSHRIRAK4ALDH1A1HSD17B10TDP1
SCHEMBL11338656 0.83 TSHR (0.56) TSHRIRAK4ALDH1A1HSD17B10TDP1
SCHEMBL9959610 0.83 TSHR (0.59) TSHRALDH1A1HSD17B10TDP1MAPK1
SCHEMBL2135648 0.83 ALDH1A1 (0.59) TSHRIRAK4ALDH1A1TDP1MAPK1
SCHEMBL28974979 0.82 TSHR (0.74) TSHRALDH1A1HSD17B10TDP1MAPK1

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-104829756-B A kind of solid catalyst component for olefine polymerization and its preparation method and application 中国科学院化学研究所 2018-05-15 CN disclosed
CN-104829756-A Solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed