SCHEMBL23691797

SCHEMBL23691797

C=C(C)C(=C)Oc1ccc(C(=C)C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ ELANE P08246 2/20 0.39
▸ NQO2 P16083 2/20 0.34
▸ CUL4A Q13619 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL4456991 0.82 ELANE (0.53) MAPTELANECUL4AALDH1A1HSP90AA1
1,4-Dimethoxybenzene SCHEMBL28111450 0.81 MAPT (0.50) MAPTNQO2NPSR1ALDH1A1PDE4A
SCHEMBL7670673 0.81 MAPT (0.50) MAPTNQO2NPSR1ALDH1A1PDE4A
SCHEMBL20882112 0.78 TDP1 (0.39) MAPTALDH1A1TDP1RAB9ANPC1
SCHEMBL11599496 0.73 NQO1 (0.52) MAPTNPSR1ALDH1A1GAATDP1
SCHEMBL12755716 0.72 LTA4H (0.46) MAPTELANEGAAPKMGFER
SCHEMBL1163251 0.70 PARP10 (0.48) TSHR
SCHEMBL29979281 0.70 GAA (0.50) MAPTALDH1A1GAAHPGDTSHR
SCHEMBL11803762 0.70 KDM4E (0.54) NQO2NPSR1ALDH1A1PDE4APDE4B
SCHEMBL15582397 0.70 ELANE (0.47) MAPTELANEALDH1A1HSP90AA1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021150074-A1 POLYMERIC COMPOSITION HAVING EXCELLENT INKJET PROPERTIES, ENCAPSULANT, AND DISPLAY DEVICE 코오롱인더스트리 주식회사 2021-07-29 — — WO disclosed
WO-2021150073-A1 POLYMERIC COMPOSITION HAVING EXCELLENT STORAGE STABILITY, ENCAPSULATION MATERIAL, AND DISPLAY DEVICE 코오롱인더스트리 주식회사 2021-07-29 — — WO disclosed
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