SCHEMBL28640918

SCHEMBL28640918

C=CCOc1ccccc1CC(=C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.48
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LIG1 P18858 1/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SLC22A1 O15245 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
NPC1 O15118 1/20 0.40

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
SCHEMBL12227220 0.82 L3MBTL1 (0.49) ALDH1A1TSHRMAPTL3MBTL1LMNA
SCHEMBL12227221 0.82 L3MBTL1 (0.50) ALDH1A1KDM4ETSHRHPGDMAPT
SCHEMBL7993174 0.81 L3MBTL1 (0.53) ALDH1A1KDM4ETSHRMAPK1MAPT
SCHEMBL25380983 0.80 LIG1 (0.53) ALDH1A1KDM4ETSHRHPGDMAPK1
SCHEMBL31414031 0.80 LIG1 (0.53) ALDH1A1KDM4ETSHRHPGDMAPK1
SCHEMBL292808 0.80 LIG1 (0.53) ALDH1A1KDM4ETSHRHPGDMAPK1
SCHEMBL9259701 0.79 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHPGDMAPK1
SCHEMBL3594662 0.79 TSHR (0.53) ALDH1A1KDM4ETSHRHPGDMAPK1
SCHEMBL2150775 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRHPGDMAPK1
SCHEMBL9206248 0.78 CXCL8 (0.47) TSHRL3MBTL1LMNACYP1A2CYP2D6

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-110088233-B Effective curing agents for free-radical crosslinkable polymers 阿科玛股份有限公司 2021-09-21 CN disclosed