SCHEMBL11226580

SCHEMBL11226580

C=C(O)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPK1 P28482 4/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
ESR1 P03372 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 2/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL8411652 0.88 ALDH1A1 (0.54) ALDH1A1MAPK1LMNAMAPTRAB9A
SCHEMBL2141031 0.88 ALDH1A1 (0.55) ALDH1A1MAPK1LMNAMAPTRAB9A
SCHEMBL13753886 0.88 ALDH1A1 (0.55) ALDH1A1MAPK1LMNAMAPTRAB9A
SCHEMBL9068109 0.84 ALDH1A1 (0.55) ALDH1A1MAPK1LMNAMAPTRAB9A
SCHEMBL2136651 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1LMNAMAPTRAB9A
SCHEMBL11207543 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1LMNAMAPTRAB9A
Etocrylene SCHEMBL1768864 0.81 ALDH1A1 (0.62) ALDH1A1MAPK1LMNAMAPTRAB9A
SCHEMBL32669188 0.81 LMNA (0.59) ALDH1A1MAPK1LMNAMAPTRAB9A
Etocrylene SCHEMBL39390 0.81 ALDH1A1 (0.62) ALDH1A1MAPK1LMNAMAPTRAB9A
SCHEMBL11213262 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1LMNAMAPTRAB9A

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
EP-0026339-B1 RADIATION CURABLE COATING COMPOSITION AND PROCESS FOR COATING A SUBSTRATE THEREWITH GAF CORPORATION (US) 1983-11-30 EP disclosed
US-4263366-A Radiation curable coating composition comprising an oligomer and a copolymerizable ultra-violet absorber GAF CORPORATION (US) 1981-04-21 US disclosed
EP-0026339-A1 Radiation curable coating composition and process for coating a substrate therewith GAF CORPORATION (US) 1981-04-08 EP disclosed
US-4202834-A Copolymerizable, ultraviolet light absorber (2-cyano-3,3-diphenylacryloxy) alkylene ethylenic ethers GAF CORPORATION (US) 1980-05-13 US disclosed
US-4178303-A (2-Cyano-3,3-diphenylacryloxy) alkylene acrylic acid esters GAF CORPORATION (US) 1979-12-11 US disclosed