SCHEMBL28929655

SCHEMBL28929655

C=CC(=O)OC(CC)c1ccccc1C(C)(C)N

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 4/20 0.33
THRA P10827 1/20 0.33
TSHR P16473 2/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
Hydrochloric Acid SCHEMBL3910415 0.99 CYP2C19 (0.33) CYP2C19CYP2C9ALDH1A1CYP3A4THRB
SCHEMBL21811198 0.86 ALDH1A1 (0.33) CYP2C19CYP2C9ALDH1A1CYP3A4THRB
SCHEMBL2743763 0.82 HCAR2 (0.37) CYP2C19CYP2C9ALDH1A1CYP3A4THRB
Hydrochloric Acid SCHEMBL2470314 0.81 HCAR2 (0.36) CYP2C19ALDH1A1CYP3A4THRBCYP2D6
Hydrochloric Acid SCHEMBL28361085 0.81 CASP1 (0.33) CYP2C19CYP2C9TSHRCYP2D6CASP1
SCHEMBL29222423 0.80 TSHR (0.47) ALDH1A1THRBTHRATSHRKDM4E
Hydrochloric Acid SCHEMBL28361068 0.76 CYP2C19 (0.35) CYP2C19CYP2C9ALDH1A1CYP3A4TSHR
SCHEMBL28928020 0.75 TSHR (0.41) THRBTHRATSHRKDM4ELMNA
Trifluoromethanesulfonic Acid SCHEMBL16108557 0.74 HCAR2 (0.32)
SCHEMBL1371364 0.74 THRB (0.41) CYP2C19ALDH1A1THRBTHRALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117355581-A Optical pressure-sensitive adhesive sheet, optical laminate, and image display device 日东电工株式会社 2024-01-05 CN disclosed
CN-117355586-A Adhesive composition, adhesive layer, and adhesive sheet 日东电工株式会社 2024-01-05 CN disclosed
CN-105828882-B Packaging article comprising an envelope and an anhydrous dye composition comprising a direct dye, use thereof and process for dyeing keratin fibres 莱雅公司 2022-09-30 CN disclosed
CN-105828884-B Packaging article comprising an envelope and an anhydrous dye composition comprising an oxidation dye, use thereof and process for dyeing keratin fibres 莱雅公司 2022-04-08 CN disclosed
CN-105828883-B Method for treating keratin fibres using a packaging article comprising an envelope and an anhydrous composition comprising an oxidizing agent 莱雅公司 2022-04-08 CN disclosed
CN-113795435-A Soluble package of pre-dosed powdered hair bleach 莱雅公司 2021-12-14 CN disclosed