SCHEMBL21457540

SCHEMBL21457540

N#CC(C#N)=Cc1cccc(O)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TRPA1 O75762 1/20 0.46
APP P05067 3/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
EGFR P00533 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 4/20 0.39
CYP2C9 P11712 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL30665832 0.84 EGFR (0.55) CA12CA1CA2CA7CA9
SCHEMBL21457599 0.83 TRPA1 (0.46) TRPA1APPKDM4EALDH1A1MAPT
SCHEMBL21457202 0.78 ADORA2A (0.62) CA12CA1CA2CA7CA9
SCHEMBL21457199 0.78 ADORA2A (0.62) CA12CA1CA2CA7CA9
SCHEMBL10517794 0.77 TRPA1 (0.53) CA1CA2TRPA1APPKDM4E
SCHEMBL21457181 0.77 TRPA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL8458208 0.76 TRPA1 (0.62) TRPA1APPKDM4EALDH1A1MAPT
SCHEMBL21457174 0.76 ALDH1A1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL21457170 0.76 ALDH1A1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL21457638 0.75 MIF (0.62) KDM4EALDH1A1MAPTMEN1KMT2A

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 6 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
CN-110248971-A Copolymer and the optical film for using the copolymer 东曹株式会社 2019-09-17 CN disclosed