Acrylic Acid

Acrylic Acid

SCHEMBL10353074

C=CC(=O)O.COc1cccc(C(=O)C(O)c2cccc(OC)c2)c1

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.49
CES1 P23141 3/20 0.49
GPR139 Q6DWJ6 2/20 0.47
PARP1 P09874 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRND Q07001 1/20 0.45
MAOB P27338 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45

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
Acrylic Acid SCHEMBL10353516 0.95 CES2 (0.51) CES2CES1GPR139L3MBTL1NPC1
SCHEMBL30185541 0.90 CES2 (0.59) CES2CES1GPR139PARP1L3MBTL1
SCHEMBL10353521 0.90 CES2 (0.59) CES2CES1GPR139PARP1L3MBTL1
Carbamic Acid SCHEMBL4383137 0.88 PARP1 (0.58) CES2CES1GPR139PARP1L3MBTL1
SCHEMBL8622126 0.86 CES2 (0.61) CES2CES1GPR139PARP1L3MBTL1
SCHEMBL6203480 0.86 CES2 (0.61) CES2CES1GPR139PARP1NPC1
Acrylic Acid SCHEMBL10353178 0.84 CES2 (0.50) CES2CES1L3MBTL1NPC1RAB9A
Benzoin SCHEMBL27280159 0.79 LMNA (0.68) CES2CES1L3MBTL1NPC1RAB9A
SCHEMBL10353073 0.78 CES2 (0.48) CES2CES1GPR139PARP1L3MBTL1
SCHEMBL12412505 0.77 CES2 (0.41) CES2CES1PARP1L3MBTL1NPC1

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