SCHEMBL21457730

SCHEMBL21457730

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.55
MAPT P10636 10/20 0.55
KDM4E B2RXH2 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 2/20 0.48
CRHBP P24387 1/20 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
SCHEMBL21457729 1.00 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL21457759 0.88 ALDH1A1 (0.69) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL21457762 0.88 ALDH1A1 (0.69) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL21457449 0.87 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL21457447 0.87 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL21457714 0.86 PDCD1 (0.53) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL21457716 0.86 PDCD1 (0.53) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL21457546 0.86 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL21457547 0.86 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL21457550 0.84 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EL3MBTL1MEN1

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