SCHEMBL21457731

SCHEMBL21457731

CCOc1ccc(C(C#N)=CC(=O)OCC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.45
HPGD P15428 1/20 0.45
PARP10 Q53GL7 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 2/20 0.40
PLK1 P53350 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PLA2G4B P0C869 1/20 0.39
BRAF P15056 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
RAB9A P51151 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38

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
SCHEMBL21457764 0.88 PARP10 (0.47) NPSR1HPGDPARP10GAAALDH1A1
SCHEMBL21457451 0.87 NQO2 (0.47) GAAALDH1A1NPC1L3MBTL1RAB9A
SCHEMBL21457625 0.87 ALDH1A1 (0.43) HPGDALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL21457718 0.86 ADRB2 (0.45) GAAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL21457549 0.86 PARP10 (0.45) NPSR1HPGDPARP10GAAALDH1A1
SCHEMBL21457221 0.85 SMN1; SMN2 (0.39) NPSR1ALDH1A1PLK1SMN1; SMN2KMT2A
SCHEMBL21457167 0.84 NQO2 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL21457555 0.84 SMN1; SMN2 (0.40) NPSR1HPGDGAAALDH1A1NPC1
SCHEMBL21457620 0.84 MAPT (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1CSNK2A2
SCHEMBL21457155 0.83 PLK1 (0.49) NPSR1HPGDPARP10GAAALDH1A1

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 5 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
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN 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