SCHEMBL4889702

SCHEMBL4889702

CCCCOCCOCCOC(=O)C=CC#N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
HCAR2 Q8TDS4 4/20 0.50
TSHR P16473 5/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ZDHHC20 Q5W0Z9 2/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
APP P05067 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL35576 1.00 ATM (0.56) ATMHCAR2TSHRHPGDMAPT
SCHEMBL4891840 0.95 HCAR2 (0.51) ATMHCAR2TSHRHPGDMAPT
SCHEMBL4894009 0.94 HCAR2 (0.53) ATMHCAR2TSHRHPGDMAPT
SCHEMBL4892532 0.93 ATM (0.61) ATMHCAR2TSHRHPGDMAPT
SCHEMBL4888251 0.93 ATM (0.61) ATMHCAR2TSHRHPGDMAPT
SCHEMBL4888226 0.90 HCAR2 (0.47) ATMHCAR2TSHRHPGDMAPT
SCHEMBL4888287 0.90 HCAR2 (0.47) ATMHCAR2TSHRHPGDMAPT
SCHEMBL24797 0.90 ATM (0.70) ATMHCAR2TSHRHPGDMAPT
SCHEMBL3786038 0.88 TSHR (0.50) ATMHCAR2TSHRMAPTRAB9A
SCHEMBL3791086 0.88 TSHR (0.50) ATMHCAR2TSHRMAPTRAB9A

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