SCHEMBL4893688

SCHEMBL4893688

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.37
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.35
TSHR P16473 2/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL4893681 0.90 HCAR2 (0.41) HCAR2TDP1ATMTSHRZDHHC20
SCHEMBL4884984 0.89 HCAR2 (0.42) HCAR2ATMTSHRZDHHC20ZDHHC2
SCHEMBL4890618 0.85 TSHR (0.36) TSHR
SCHEMBL4891419 0.84 TSHR (0.35) TSHR
SCHEMBL4891948 0.81 TSHR (0.33) ATMTSHR
SCHEMBL4885631 0.81 TSHR (0.33) TSHR
SCHEMBL168359 0.79 TSHR (0.53) HCAR2TDP1ATMTSHRZDHHC20
SCHEMBL440285 0.78 TSHR (0.40) TDP1TSHR
SCHEMBL167356 0.77 HCAR2 (0.59) HCAR2ATMTSHRZDHHC20ZDHHC2
SCHEMBL21999255 0.77 HCAR2 (0.59) HCAR2ATMTSHRZDHHC20ZDHHC2

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