SCHEMBL16804267

SCHEMBL16804267

C=CC(=O)OCCOCCOCCOCCC[Si](OCCCC)(OCCCC)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.58
HPGD P15428 1/20 0.58
ALDH1A1 P00352 3/20 0.54
TP53 P04637 2/20 0.54
HIF1A Q16665 2/20 0.54
HSD17B10 Q99714 1/20 0.54
THRB P10828 4/20 0.47
CYP3A4 P08684 2/20 0.42
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 3/20 0.37
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 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
SCHEMBL17712532 1.00 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3041892 0.94 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL136294 0.91 TSHR (0.71) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL970916 0.88 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL31186299 0.87 TSHR (0.65) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8458247 0.86 TSHR (0.68) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11430967 0.86 TSHR (0.78) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13111368 0.86 TSHR (0.78) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL244622 0.86 TSHR (0.78) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL34233 0.86 TSHR (0.78) TSHRHPGDALDH1A1TP53HIF1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9329479-B2 Lithographic printing plate precusor AGFA GRAPHICS NV (BE) 2016-05-03 US disclosed
US-9329479-B2 Lithographic printing plate precusor AGFA GRAPHICS NV (BE) 2016-05-03 US disclosed
US-20150168837-A1 LITHOGRAPHIC PRINTING PLATE PRECUSOR ECO3 BV (BE) 2015-06-18 US disclosed
US-20150168837-A1 LITHOGRAPHIC PRINTING PLATE PRECUSOR ECO3 BV (BE) 2015-06-18 US disclosed