SCHEMBL28096265

SCHEMBL28096265

CC(/C=C/C(=O)O)c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GSK3B P49841 1/20 0.39
F2R P25116 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 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
SCHEMBL2347397 0.78 HCAR2 (0.53) KDM4EMAPK1LMNAGABRPGABRD
SCHEMBL5704861 0.78 HCAR2 (0.53) KDM4EMAPK1LMNAGABRPGABRD
SCHEMBL11501260 0.76 PTGS2 (0.55) KDM4EMAPTGAAMAPK1ALDH1A1
SCHEMBL22753334 0.74 CYP2A6 (0.43) KDM4EMAPTL3MBTL1GAAALDH1A1
SCHEMBL11439819 0.73 ATG4B (0.45) KDM4EMAPK1ALDH1A1LMNAHTT
SCHEMBL11439822 0.73 ATG4B (0.45) KDM4EMAPK1ALDH1A1LMNAHTT
Acetic Acid SCHEMBL11525074 0.73 PANK3 (0.49) KDM4EMAPTL3MBTL1GAAMAPK1
SCHEMBL2575820 0.73 PTGS2 (0.55) KDM4EMAPTL3MBTL1GAAALDH1A1
SCHEMBL8223856 0.73 PTGS2 (0.55) KDM4EMAPTL3MBTL1GAAALDH1A1
SCHEMBL11115420 0.73 PARP15 (0.47) KDM4EMAPTGAAMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103347864-B Pyrimidone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA 2 葛兰素集团有限公司 2016-08-10 CN disclosed