SCHEMBL28020067

SCHEMBL28020067

CC(C)COC(=O)c1ccccc1OC(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
TSHR P16473 2/20 0.72
IRAK4 Q9NWZ3 2/20 0.58
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.48
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
ADRB2 P07550 3/20 0.46

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
SCHEMBL28020498 0.85 ALDH1A1 (0.74) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL1073248 0.85 ALDH1A1 (0.74) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL28020518 0.85 TSHR (0.65) ALDH1A1TSHRIRAK4MAPTMEN1
SCHEMBL42787 0.84 ALDH1A1 (1.00) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL8144263 0.84 ALDH1A1 (1.00) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL29387332 0.84 ALDH1A1 (1.00) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL1283916 0.84 ALDH1A1 (0.72) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL27494884 0.83 ALDH1A1 (0.96) ALDH1A1TSHRMAPTMEN1TP53
Ammonia Solution, Strong SCHEMBL28046886 0.83 ALDH1A1 (0.96) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL27345462 0.83 ALDH1A1 (0.96) ALDH1A1TSHRMAPTMEN1TP53

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