SCHEMBL5177367

SCHEMBL5177367

CCCC/C(=C/C(=O)O)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.41
FAAH O00519 3/20 0.39
TP53 P04637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SOAT1 P35610 1/20 0.38
ALDH1A1 P00352 3/20 0.38
AKR1B1 P15121 1/20 0.38
GPR84 Q9NQS5 6/20 0.37
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL5176308 1.00 CES1 (0.41) CES1CES2FAAHTP53MEN1
SCHEMBL5176301 1.00 CES1 (0.41) CES1CES2FAAHTP53MEN1
SCHEMBL28054391 0.92 FAAH (0.49) CES1CES2FAAHTP53MEN1
SCHEMBL27564543 0.92 FAAH (0.49) CES1CES2FAAHTP53MEN1
SCHEMBL28298260 0.92 FAAH (0.49) CES1CES2FAAHTP53MEN1
SCHEMBL28283297 0.92 FAAH (0.49) CES1CES2FAAHTP53MEN1
SCHEMBL28196445 0.92 FAAH (0.49) CES1CES2FAAHTP53MEN1
SCHEMBL28313147 0.87 HDAC3 (0.40) CES1CES2FAAHTP53MEN1
SCHEMBL377345 0.87 HDAC3 (0.40) CES1CES2FAAHTP53MEN1
SCHEMBL381319 0.85 CES1 (0.42) CES1CES2FAAHTP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980504-B Binder for multilayered structure 阿肯马法国公司 2019-07-23 CN disclosed
CN-109920843-A Substrate is doped by the polymer film containing dopant 加利福尼亚大学董事会 2019-06-21 CN disclosed
CN-105023833-B Method for doping a substrate by means of a polymer film containing a dopant 加利福尼亚大学董事会 2019-01-08 CN disclosed
CN-106104333-B Retardation film, and polarizing plate and display device using same 柯尼卡美能达株式会社 2018-11-13 CN disclosed
EP-1602481-B1 Lithographic printing plate precursor FUJIFILM CORP (JP) 2007-05-30 EP disclosed