SCHEMBL17022306

SCHEMBL17022306

CC(C)(C)[N+]([O-])=Cc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
CHAT P28329 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 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
SCHEMBL31558375 1.00 RXRA (0.49) RXRACHATALDH1A1MTNR1AMTNR1B
SCHEMBL5711300 0.75 ALDH1A1 (0.37) ALDH1A1PTGS2MEN1KMT2ATDP1
SCHEMBL4711162 0.74 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL14992771 0.74 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL15216528 0.74 NFE2L2 (0.45) ALDH1A1MEN1KMT2AMAPT
SCHEMBL7921428 0.74 NFE2L2 (0.45) ALDH1A1MEN1KMT2AMAPT
SCHEMBL14390523 0.74 MEN1 (0.42) ALDH1A1MEN1KMT2ATDP1
SCHEMBL14992770 0.74 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL7896121 0.73 ERN1 (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7900406 0.71 CA12 (0.37) ALDH1A1MEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779191-B Active energy ray-curable composition and cured product thereof 昭和电工株式会社 2021-06-22 CN disclosed
US-11015007-B2 Active energy ray-curable composition and cured product thereof SHOWA DENKO K.K. (JP) 2021-05-25 US disclosed
EP-3428198-B1 ACTIVE ENERGY RAY-CURABLE COMPOSITION AND CURED PRODUCT THEREOF SHOWA DENKO KK (JP) 2020-11-25 EP disclosed
CN-107531905-B Curable composition and optical adhesive using same 三菱瓦斯化学株式会社 2020-10-02 CN disclosed
US-20190040175-A1 ACTIVE ENERGY RAY-CURABLE COMPOSITION AND CURED PRODUCT THEREOF SHOWA DENKO K.K. (JP) 2019-02-07 US disclosed
EP-3428198-A1 ACTINIC-RAY-CURABLE COMPOSITION AND CURED OBJECT OBTAINED THEREFROM Showa Denko K.K. (JP) 2019-01-16 EP disclosed
CN-108779191-A Active energy ray-curable composition and cured product thereof 昭和电工株式会社 2018-11-09 CN disclosed
EP-2910592-B1 POLYMERIZABLE COMPOSITION, AND CURED ARTICLE MITSUBISHI GAS CHEMICAL CO (JP) 2018-09-05 EP disclosed
US-20180171080-A1 CURABLE COMPOSITION AND ADHESIVE FOR OPTICAL APPLICATIONS USING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-06-21 US disclosed
EP-3305831-A1 CURABLE COMPOSITION AND ADHESIVE FOR OPTICAL APPLICATIONS USING SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2018-04-11 EP disclosed
US-9376603-B2 Polymerizable composition, and cured article MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-06-28 US disclosed
US-20150252234-A1 POLYMERIZABLE COMPOSITION, AND CURED ARTICLE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-09-10 US disclosed
EP-2910592-A1 POLYMERIZABLE COMPOSITION, AND CURED ARTICLE Mitsubishi Gas Chemical Company, Inc. (JP) 2015-08-26 EP disclosed
CN-104736603-A Polymerizable composition, and cured article MITSUBISHI GAS CHEMICAL CO 2015-06-24 CN disclosed