SCHEMBL9113376

SCHEMBL9113376

[CH2]/C=C/CCC(=O)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TSHR P16473 3/20 0.35
MAPT P10636 2/20 0.35
FAAH O00519 3/20 0.34
MGLL Q99685 1/20 0.34
EPHX2 P34913 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2B P41595 1/20 0.33
MC3R P41968 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE4D Q08499 1/20 0.33
SCN5A Q14524 1/20 0.33
HTT P42858 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL9113382 1.00 LMNA (0.46) LMNATSHRMAPTFAAHMGLL
SCHEMBL27844940 0.83 LMNA (0.48) LMNATSHRMAPTFAAHMGLL
SCHEMBL27111981 0.81 LMNA (0.43) LMNATSHRMAPTFAAHMGLL
SCHEMBL14899320 0.80 LMNA (0.50) LMNATSHRMAPTFAAHPGR
SCHEMBL28332773 0.80 LMNA (0.55) LMNAMAPTFAAHPGRADORA3
SCHEMBL28127342 0.79 LMNA (0.42) LMNATSHRMAPTFAAHMGLL
SCHEMBL514518 0.79 FAAH (0.49) LMNATSHRMAPTFAAHMGLL
SCHEMBL7626718 0.78 TSHR (0.47) TSHRMAPTFAAHEPHX2ALDH1A1
SCHEMBL27619525 0.78 LMNA (0.44) LMNATSHRMAPTFAAHPGR
SCHEMBL7209244 0.77 LMNA (0.50) LMNATSHRMAPTFAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed