SCHEMBL4884984

SCHEMBL4884984

CCCCCCOC(C)COC(C)COC(=O)C=CC#N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.42
ATM Q13315 1/20 0.38
ZDHHC20 Q5W0Z9 2/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
NAAA Q02083 1/20 0.34
TSHR P16473 1/20 0.34
APP P05067 3/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33

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
SCHEMBL4893681 0.99 HCAR2 (0.41) HCAR2ATMZDHHC20ZDHHC2NAAA
SCHEMBL4893688 0.89 HCAR2 (0.37) HCAR2ATMZDHHC20ZDHHC2TSHR
SCHEMBL4891948 0.82 TSHR (0.33) ATMTSHR
SCHEMBL4890618 0.80 TSHR (0.36) TSHR
SCHEMBL15229292 0.80 HCAR2 (0.64) HCAR2ATMZDHHC20ZDHHC2NAAA
SCHEMBL8380051 0.80 HCAR2 (0.64) HCAR2ATMZDHHC20ZDHHC2NAAA
SCHEMBL3457992 0.80 HCAR2 (0.64) HCAR2ATMZDHHC20ZDHHC2NAAA
SCHEMBL2903635 0.80 HCAR2 (0.64) HCAR2ATMZDHHC20ZDHHC2NAAA
SCHEMBL29892 0.80 HCAR2 (0.64) HCAR2ATMZDHHC20ZDHHC2NAAA
SCHEMBL1452757 0.80 HCAR2 (0.64) HCAR2ATMZDHHC20ZDHHC2NAAA

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