SCHEMBL10434802

SCHEMBL10434802

C=C(OC)C(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.57
NPC1 O15118 2/20 0.55
GAA P10253 2/20 0.53
BRD4 O60885 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LRRK2 Q5S007 1/20 0.50
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTGER1 P34995 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
SCHEMBL9643397 0.85 SGMS2 (0.60) SGMS2NPC1GAABRD4L3MBTL1
SCHEMBL11583825 0.85 SGMS2 (0.56) SGMS2NPC1GAABRD4L3MBTL1
SCHEMBL9805921 0.82 SGMS2 (0.57) SGMS2NPC1GAABRD4L3MBTL1
SCHEMBL978857 0.81 HTT (0.64) SGMS2NPC1GAABRD4L3MBTL1
SCHEMBL10346925 0.81 SGMS2 (0.62) SGMS2NPC1GAAL3MBTL1MEN1
SCHEMBL27723974 0.78 SGMS2 (0.59) SGMS2NPC1GAAL3MBTL1MEN1
SCHEMBL30468871 0.78 SGMS2 (0.67) SGMS2NPC1GAABRD4L3MBTL1
SCHEMBL71081 0.78 SGMS2 (0.67) SGMS2NPC1GAABRD4L3MBTL1
SCHEMBL7531833 0.78 SGMS2 (0.58) SGMS2NPC1GAABRD4L3MBTL1
SCHEMBL29433417 0.77 SGMS2 (0.66) SGMS2NPC1GAAL3MBTL1KMT2A

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
EP-0350691-A2 Heterocyclically substituted alpha-aryl-acrylic-acid esters, and fungicides containing these compounds BASF Aktiengesellschaft (DE) 1990-01-17 EP disclosed