SCHEMBL28787477

SCHEMBL28787477

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TSHR P16473 3/20 0.36
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 4/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRG1 Q8N1C3 2/20 0.31

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
SCHEMBL1107368 0.81 GAA (0.44) GAATSHRCYP2C19CYP2D6CYP2C9
SCHEMBL676410 0.78 TSHR (0.41) TSHRALDH1A1
Hydrochloric Acid SCHEMBL9794913 0.78 TSHR (0.37) TSHR
Isopropylamine SCHEMBL28156605 0.77 GAA (0.41) GAATSHRCYP2C19CYP2D6ALDH1A1
SCHEMBL28287215 0.77 GAA (0.41) GAATSHRCYP2C19CYP2D6CYP2C9
Acetic Acid Methyl Ester SCHEMBL28141851 0.76 ALDH1A1 (0.46) TSHRALDH1A1
Hydrochloric Acid SCHEMBL5722210 0.76 TSHR (0.39) TSHRALDH1A1
SCHEMBL8605101 0.75 GAA (0.39) GAATSHRCYP2C19CYP2D6CYP2C9
SCHEMBL16087960 0.75 GAA (0.39) GAATSHRCYP2C19CYP2D6CYP2C9
SCHEMBL14178083 0.75 KCNH2 (0.31) CYP2C19CYP2D6CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105007909-B Use of formyl peptide receptor 2 agonists for the treatment of ocular inflammatory diseases 阿勒根公司 2019-06-28 CN claimed
CN-105705484-B Carbanilate derivative as formyl peptide receptor conditioning agent 阿勒根公司 2018-09-14 CN claimed
CN-105007908-B Use of agonists of formyl peptide receptor 2 for the treatment of skin diseases 阿勒根公司 2017-10-03 CN claimed
CN-105705484-A Phenylcarbamate derivatives as formyl peptide receptor modulators 阿勒根公司 2016-06-22 CN claimed
CN-105007909-A Use of formyl peptide receptor 2 agonists for the treatment of ocular inflammatory diseases ALLERGAN INC 2015-10-28 CN claimed
CN-105007908-A Use of agonists of formyl peptide receptor 2 for the treatment of skin diseases ALLERGAN INC 2015-10-28 CN claimed
CN-104945309-B New nitroso compound and application thereof as nitroxyl donors 卡尔迪奥克斯尔制药公司 2019-06-04 CN disclosed
CN-105705484-A Phenylcarbamate derivatives as formyl peptide receptor modulators 阿勒根公司 2016-06-22 CN disclosed
CN-102076342-A Novel nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS INC 2011-05-25 CN disclosed