SCHEMBL28020085

SCHEMBL28020085

CCOC(=O)c1cc(C)ccc1OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
ALDH1A1 P00352 6/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 3/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
KDM4E B2RXH2 5/20 0.43
HPGD P15428 3/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
P2RX3 P56373 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL23501534 0.85 TSHR (0.50) ALDH1A1MAPTMAPK1TSHRCA12
SCHEMBL5863680 0.85 LMNA (0.49) ALDH1A1MAPTMAPK1TSHRCA12
SCHEMBL23635829 0.84 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1TSHRCA12
SCHEMBL2096332 0.83 LMNA (0.57) ALDH1A1MAPTTSHRCA12CA1
SCHEMBL14279020 0.82 TSHR (0.52) ALDH1A1MAPTMAPK1TSHRCA12
SCHEMBL28820189 0.82 ABCB1 (0.49) ALDH1A1MAPTMAPK1TSHRCA12
SCHEMBL27350289 0.81 IDO1 (0.46) IDO1TDO2ALDH1A1MAPTKDM4E
SCHEMBL2096329 0.81 TSHR (0.50) ALDH1A1MAPTMAPK1TSHRCA12
SCHEMBL28020518 0.81 TSHR (0.65) IDO1TDO2ALDH1A1MAPTMAPK1
SCHEMBL17908023 0.80 CSNK2A1 (0.52) IDO1TDO2ALDH1A1KMT2AABCB1

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