SCHEMBL28020522

SCHEMBL28020522

CCCOc1ccccc1C(=O)OCC(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.69
ADRB1 P08588 2/20 0.69
ADRB3 P13945 2/20 0.69
ALDH1A1 P00352 6/20 0.66
TSHR P16473 4/20 0.66
CYP3A4 P08684 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 2/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TP53 P04637 2/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 2/20 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
SCHEMBL27898195 0.93 ALDH1A1 (0.64) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL28020070 0.88 ALDH1A1 (0.63) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL27461383 0.88 ALDH1A1 (0.70) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL28020498 0.88 ALDH1A1 (0.74) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL2949387 0.86 ALDH1A1 (0.73) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL5168223 0.84 ALDH1A1 (0.80) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL9969538 0.84 TSHR (0.65) ADRB2ADRB1ADRB3ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL28026710 0.83 TSHR (0.62) ADRB2ADRB1ADRB3ALDH1A1TSHR
Bicarbonate SCHEMBL5184161 0.83 ALDH1A1 (0.69) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL28214366 0.83 TSHR (0.65) ADRB2ADRB1ADRB3ALDH1A1TSHR

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