SCHEMBL10353073

SCHEMBL10353073

C=CC(=O)OC(C(=O)c1cccc(OC)c1)c1cccc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
PARP1 P09874 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
SLC6A2 P23975 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CHRND Q07001 1/20 0.44

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
SCHEMBL10353515 0.94 NPC1 (0.54) CES2CES1MEN1KMT2ANPC1
SCHEMBL10353075 0.83 MEN1 (0.53) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7188262 0.80 L3MBTL1 (0.47) CES2CES1MEN1KMT2APOLB
SCHEMBL28193320 0.79 L3MBTL1 (0.47) CES2CES1PARP1L3MBTL1CHRM2
Acrylic Acid SCHEMBL10353074 0.78 CES2 (0.49) CES2CES1NPC1RAB9APARP1
SCHEMBL23511126 0.77 ALDH1A1 (0.70) CES2CES1MEN1KMT2ANPC1
SCHEMBL37125 0.76 ALDH1A1 (0.63) CES2CES1MEN1KMT2ANPC1
SCHEMBL10353517 0.76 MEN1 (0.48) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL27741306 0.75 L3MBTL1 (0.46) CES2CES1MEN1KMT2AL3MBTL1
SCHEMBL2383723 0.75 NPC1 (0.56) CES2CES1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0123159-B1 POSITIVE-WORKING PHOTOSENSITIVE BENZOIN ESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-05 EP disclosed
EP-0123159-A2 Positive-working photosensitive benzoin esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-31 EP disclosed
US-4469774-A RELIEF PRINTING PLATES, PHOTORESISTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-09-04 US disclosed