SCHEMBL21457599

SCHEMBL21457599

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
APP P05067 3/20 0.39
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX15 P16050 1/20 0.38
PKM P14618 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL18230629 0.84 TRPA1 (0.55) TRPA1APPPOLBHTTAPEX1
SCHEMBL21457134 0.84 KDM4E (0.52) ALDH1A1KDM4ELMNAKMT2APKM
SCHEMBL21457135 0.84 KDM4E (0.52) ALDH1A1KDM4ELMNAKMT2APKM
SCHEMBL21457181 0.83 TRPA1 (0.50) TRPA1APPPOLBHTTAPEX1
SCHEMBL21457540 0.83 CA12 (0.52) TRPA1APPPOLBHTTAPEX1
SCHEMBL29492398 0.79 AKR1C3 (0.33) HTTALDH1A1MAPTKDM4ELMNA
SCHEMBL21457250 0.78 ADORA2A (0.59) APPPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL21457252 0.78 ADORA2A (0.59) APPPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL21457577 0.75 ALDH1A1 (0.53) POLBALDH1A1MAPTKDM4ELMNA
SCHEMBL21457498 0.75 MIF (0.55) POLBHTTTDP1ALDH1A1MAPT

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