SCHEMBL8827709

SCHEMBL8827709

CC=C(C(=O)O)c1ccccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.56
NPC1 O15118 1/20 0.54
HTT P42858 1/20 0.54
LIPE Q05469 1/20 0.53
GAA P10253 1/20 0.52
PTGER1 P34995 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
PARP1 P09874 1/20 0.50
BRD4 O60885 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL10864744 0.88 SGMS2 (0.56) SGMS2NPC1HTTLIPEGAA
SCHEMBL5046787 0.87 SGMS2 (0.52) SGMS2NPC1HTTLIPEGAA
SCHEMBL9642440 0.87 SGMS2 (0.59) SGMS2NPC1HTTLIPEGAA
SCHEMBL1097809 0.87 SGMS2 (0.59) SGMS2NPC1HTTLIPEGAA
SCHEMBL5046789 0.87 SGMS2 (0.52) SGMS2NPC1HTTLIPEGAA
SCHEMBL10442994 0.87 SGMS2 (0.52) SGMS2NPC1HTTLIPEGAA
SCHEMBL9731418 0.84 SGMS2 (0.50) SGMS2NPC1HTTLIPEGAA
SCHEMBL10346925 0.80 SGMS2 (0.62) SGMS2NPC1HTTGAAPTGER1
SCHEMBL30468871 0.80 SGMS2 (0.67) SGMS2NPC1HTTGAAPTGER1
SCHEMBL71081 0.80 SGMS2 (0.67) SGMS2NPC1HTTGAAPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633256-A Certain pyrimidinyloxy-phenyl acrylates, derivatives thereof and their fungicidal use ZENECA LIMITED (GB) 1997-05-27 US disclosed
US-5602076-A INSECTICIDES, NEMATOCIDES ZENECA LIMITED (GB) 1997-02-11 US disclosed
US-5470819-A Plant growth regulators, insecticides ZENECA LIMITED (GB) 1995-11-28 US disclosed
EP-0242081-B1 Fungicides ZENECA LTD (GB) 1994-04-27 EP disclosed
US-5057146-A CERTAIN 2-PYRIDYL OXY-PHENYL ACRYLATES HAVING FUNGICIDAL, INSECTICIDAL, NEMATOCIDAL AND PLANT GROWTH REGULATING ACTIVITY IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-15 US disclosed
EP-0391451-A1 Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-10 EP disclosed
EP-0387923-A2 Fungicides ZENECA LIMITED (GB) 1990-09-19 EP disclosed
EP-0242081-A1 Fungicides ZENECA LIMITED (GB) 1987-10-21 EP disclosed