SCHEMBL4891886

SCHEMBL4891886

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL35691 0.91 LMNA (0.38) LMNATDP1ATMHCAR2
SCHEMBL3791086 0.82 TSHR (0.50) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL3786038 0.82 TSHR (0.50) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL4885631 0.81 TSHR (0.33) TSHR
SCHEMBL4893048 0.81 TSHR (0.42) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL4888287 0.78 HCAR2 (0.47) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL4888226 0.78 HCAR2 (0.47) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL4889687 0.78 TSHR (0.47) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL440285 0.78 TSHR (0.40) ALDH1A1TSHRTDP1
SCHEMBL4895739 0.77 ALDH1A1 (0.39) ALDH1A1TP53TSHRHIF1AHSD17B10

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