SCHEMBL21457321

SCHEMBL21457321

COC(=O)C=C(C#N)c1cccc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
PARP1 P09874 1/20 0.51
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PKM P14618 1/20 0.50
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL21457696 0.86 SMN1; SMN2 (0.48) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL21457295 0.86 CES2 (0.49) CES2CES1PARP1NPC1RAB9A
SCHEMBL11762776 0.86 CES2 (0.49) CES2CES1PARP1NPC1RAB9A
SCHEMBL11762780 0.86 CES2 (0.49) CES2CES1PARP1NPC1RAB9A
SCHEMBL21457230 0.85 P4HB (0.43) PARP1NPC1RAB9AMAPTALDH1A1
SCHEMBL21457324 0.85 AKR1C3 (0.41) NPC1RAB9ANPSR1ALDH1A1MEN1
SCHEMBL21457347 0.85 HDAC8 (0.45) PARP1NPC1RAB9AMAPTALDH1A1
SCHEMBL21457567 0.84 SMN1; SMN2 (0.46) PARP1NPC1RAB9AMAPTNPSR1
SCHEMBL21457279 0.84 ALDH1A1 (0.48) PARP1NPC1RAB9AMAPTNPSR1
SCHEMBL21457444 0.84 NPC1 (0.49) CES2CES1PARP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 EP disclosed
US-11225540-B2 Copolymer and optical film using same TOSOH CORPORATION (JP) 2022-01-18 US disclosed
US-20200095358-A1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORPORATION (JP) 2020-03-26 US disclosed
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 EP disclosed