SCHEMBL21457718

SCHEMBL21457718

CC(C)COC(=O)C=C(C#N)c1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
GSK3B P49841 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL21457620 0.88 MAPT (0.41) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL21457167 0.88 NQO2 (0.43) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL21457555 0.88 SMN1; SMN2 (0.40) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL21457195 0.86 NPSR1 (0.39) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL21457513 0.86 TSHR (0.38) CA1CA2ALDH1A1MAPTKMT2A
SCHEMBL21457470 0.86 KMT2A (0.40) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL21457647 0.86 SMN1; SMN2 (0.50) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL21457731 0.86 NPSR1 (0.45) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL21457221 0.85 SMN1; SMN2 (0.39) ADRB2ADRB1ADRB3ALDH1A1MAPT
Ethane SCHEMBL28319001 0.85 SMN1; SMN2 (0.49) ADRB2ADRB1ADRB3ALDH1A1MAPT

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
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
CN-110248971-A Copolymer and the optical film for using the copolymer 东曹株式会社 2019-09-17 CN disclosed