SCHEMBL4891840

SCHEMBL4891840

CCCCCOCCOCCOC(=O)C=CC#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.51
ATM Q13315 1/20 0.50
HTT P42858 3/20 0.42
ZDHHC20 Q5W0Z9 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.40
APP P05067 4/20 0.40
TSHR P16473 3/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CES2 O00748 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4894009 0.98 HCAR2 (0.53) HCAR2ATMHTTZDHHC20MAPT
SCHEMBL4889702 0.95 ATM (0.56) HCAR2ATMHTTZDHHC20MAPT
SCHEMBL35576 0.95 ATM (0.56) HCAR2ATMHTTZDHHC20MAPT
SCHEMBL4892532 0.92 ATM (0.61) HCAR2ATMHTTZDHHC20MAPT
SCHEMBL1452125 0.90 HCAR2 (0.62) HCAR2ATMHTTZDHHC20MAPT
SCHEMBL6466648 0.89 HCAR2 (0.54) HCAR2ATMHTTZDHHC20MAPT
SCHEMBL4888251 0.89 ATM (0.61) HCAR2ATMHTTZDHHC20MAPT
SCHEMBL29341 0.88 HCAR2 (0.64) HCAR2ATMHTTZDHHC20MAPT
SCHEMBL15229292 0.88 HCAR2 (0.64) HCAR2ATMHTTZDHHC20MAPT
SCHEMBL3457992 0.88 HCAR2 (0.64) HCAR2ATMHTTZDHHC20MAPT

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
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