SCHEMBL4889669

SCHEMBL4889669

CCCCOC(C)(C)OC(=O)C=CC#N

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 3/20 0.37
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL4891444 0.83
SCHEMBL3422881 0.77 TSHR (0.56) ATMHCAR2HPGDTSHRMAPT
SCHEMBL24797 0.76 ATM (0.70) ATMHCAR2HPGDTSHRMAPT
SCHEMBL667300 0.74 KEAP1 (0.31) HCAR2
SCHEMBL1469628 0.74 ALDH1A1 (0.41) ATMHCAR2HPGDTSHRALDH1A1
SCHEMBL11150713 0.73 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL6465406 0.72 ATM (0.63) ATMHCAR2HPGDTSHRMAPT
SCHEMBL19579380 0.72 ATM (0.63) ATMHCAR2HPGDTSHRMAPT
SCHEMBL11129740 0.72 ALDH1A1 (0.40) ATMHCAR2HPGDTSHRMAPT
SCHEMBL5484696 0.72 ALDH1A1 (0.40) ATMHCAR2HPGDTSHRALDH1A1

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