SCHEMBL4894009

SCHEMBL4894009

CCCCCCOCCOCCOC(=O)C=CC#N

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.53
ATM Q13315 1/20 0.49
HTT P42858 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
ZDHHC20 Q5W0Z9 2/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.43
CES2 O00748 2/20 0.42
APP P05067 4/20 0.41
NAAA Q02083 1/20 0.40
DGKA P23743 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4891840 0.98 HCAR2 (0.51) HCAR2ATMHTTMAPTMEN1
SCHEMBL4889702 0.94 ATM (0.56) HCAR2ATMHTTMAPTMEN1
SCHEMBL35576 0.94 ATM (0.56) HCAR2ATMHTTMAPTMEN1
SCHEMBL6466648 0.91 HCAR2 (0.54) HCAR2ATMHTTMAPTZDHHC20
SCHEMBL4892532 0.90 ATM (0.61) HCAR2ATMHTTMAPTZDHHC20
SCHEMBL3457992 0.90 HCAR2 (0.64) HCAR2ATMHTTMAPTZDHHC20
SCHEMBL15229292 0.90 HCAR2 (0.64) HCAR2ATMHTTMAPTZDHHC20
SCHEMBL29341 0.90 HCAR2 (0.64) HCAR2ATMHTTMAPTZDHHC20
SCHEMBL8380051 0.90 HCAR2 (0.64) HCAR2ATMHTTMAPTZDHHC20
SCHEMBL2903635 0.90 HCAR2 (0.64) HCAR2ATMHTTMAPTZDHHC20

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