SCHEMBL4895739

SCHEMBL4895739

COCCCOCCOC(=O)C=CC#N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.38
HCAR2 Q8TDS4 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ABCB11 O95342 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2B P18089 1/20 0.30
OPRD1 P41143 1/20 0.30
SCN5A Q14524 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
SCHEMBL4893048 0.92 TSHR (0.42) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL440642 0.90 ATM (0.47) ALDH1A1TSHRATMHCAR2SMN1; SMN2
SCHEMBL540751 0.86 ATM (0.47) ALDH1A1TSHRATMHCAR2SMN1; SMN2
SCHEMBL487322 0.86 ATM (0.41) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL3786038 0.86 TSHR (0.50) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL3791086 0.86 TSHR (0.50) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL4889702 0.85 ATM (0.56) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL35576 0.85 ATM (0.56) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL4891840 0.84 HCAR2 (0.51) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL3207425 0.84 ATM (0.46) ALDH1A1TSHRATMHCAR2SMN1; SMN2

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