SCHEMBL28030240

SCHEMBL28030240

CCCOC(=O)CC.N#CC=CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.53
NAAA Q02083 1/20 0.42
ATM Q13315 1/20 0.35
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
APP P05067 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
DGKA P23743 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX5 P09917 1/20 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
SCHEMBL28833391 0.80 HCAR2 (0.57) HCAR2NAAAATMHTTLMNA
SCHEMBL28833390 0.80 HCAR2 (0.57) HCAR2NAAAATMHTTLMNA
Propionic Acid SCHEMBL28030239 0.79 HCAR2 (0.56) HCAR2ATMLMNAZDHHC20APP
SCHEMBL167356 0.78 HCAR2 (0.59) HCAR2ATMLMNAZDHHC20APP
SCHEMBL21999255 0.78 HCAR2 (0.59) HCAR2ATMLMNAZDHHC20APP
Water SCHEMBL28183366 0.78
Bicarbonate SCHEMBL28988054 0.75 NAAA (0.60) HCAR2NAAAHTTKDM4ELMNA
SCHEMBL62961 0.75
SCHEMBL28329154 0.75 NAAA (0.65) HCAR2NAAAHTTKDM4ELMNA
SCHEMBL18824999 0.75 HCAR2 (0.64) HCAR2ATMLMNAALDH1A1

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-104837919-B Heat-proof aging EVAc composition and preparation method thereof 纳幕尔杜邦公司 2018-01-30 CN disclosed
CN-104837919-A Heat aging resistant ethylene vinly acetate copolymer composition and process for producing same DU PONT 2015-08-12 CN disclosed