SCHEMBL4889833

SCHEMBL4889833

CCCOCOC(=O)C=CC#N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.43
ATM Q13315 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
APP P05067 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX5 P09917 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 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
SCHEMBL4892555 0.90 ATM (0.52) HCAR2ATMZDHHC20ZDHHC2APP
SCHEMBL4888287 0.86 HCAR2 (0.47) HCAR2ATMZDHHC20ZDHHC2APP
SCHEMBL4888226 0.86 HCAR2 (0.47) HCAR2ATMZDHHC20ZDHHC2APP
SCHEMBL828236 0.85 HCAR2 (0.39) HCAR2ATMZDHHC20ZDHHC2MAPT
SCHEMBL167356 0.85 HCAR2 (0.59) HCAR2ATMZDHHC20ZDHHC2APP
SCHEMBL21999255 0.85 HCAR2 (0.59) HCAR2ATMZDHHC20ZDHHC2APP
SCHEMBL4892566 0.83 ATM (0.52) HCAR2ATMZDHHC20ZDHHC2APP
Propionic Acid SCHEMBL28030239 0.79 HCAR2 (0.56) HCAR2ATMZDHHC20ZDHHC2APP
SCHEMBL24797 0.78 ATM (0.70) HCAR2ATMZDHHC20ZDHHC2APP
SCHEMBL5555666 0.77 HCAR2 (0.33) HCAR2ATMZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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