SCHEMBL4892042

SCHEMBL4892042

COC(=O)C(C#N)=CC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
ALDH1A1 P00352 8/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
EGFR P00533 2/20 0.33
ERBB2 P04626 1/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL973915 0.98 APP (0.37) APPALDH1A1MAPTHPGDNPSR1
SCHEMBL973914 0.98 APP (0.37) APPALDH1A1MAPTHPGDNPSR1
SCHEMBL12921463 0.98 APP (0.37) APPALDH1A1MAPTHPGDNPSR1
SCHEMBL19544281 0.81 EPHX1 (0.36)
SCHEMBL28052737 0.80 ALDH1A1 (0.41) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL449227 0.78 POLB (0.41) ALDH1A1HPGDCYP3A4KDM4EPOLB
SCHEMBL2401932 0.78 POLB (0.41) ALDH1A1HPGDCYP3A4KDM4EPOLB
SCHEMBL11442710 0.78 POLB (0.41) ALDH1A1HPGDCYP3A4KDM4EPOLB
SCHEMBL22508426 0.76 EPHX1 (0.33)
SCHEMBL2401988 0.76 GRIK1 (0.40) ALDH1A1HPGDCYP3A4KDM4EPOLB

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
CN-113874459-B Flexible photocurable cyanoacrylate compositions 汉高股份有限及两合公司 2023-07-04 CN disclosed
CN-113874459-A Flexible photocurable cyanoacrylate compositions 汉高知识产权控股有限责任公司 2021-12-31 CN disclosed
CN-105246872-A Cyanoacrylate compositions Henkel US IP LLC 2016-01-13 CN disclosed
US-20080293872-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-27 US disclosed
US-20080287574-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-20 US disclosed