SCHEMBL16623979

SCHEMBL16623979

CC(C)(C)c1cc(CCC(=O)OCCOCCOCCOCCOCCOCCOCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
GAA P10253 4/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
ACHE P22303 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APP P05067 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 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
SCHEMBL100357 1.00 ALOX5 (0.42) ALOX5GAAKMT2AMEN1TDP1
SCHEMBL14413560 0.98 ALOX5 (0.43) ALOX5GAAKMT2AMEN1TDP1
SCHEMBL10135978 0.97 ALOX5 (0.44) ALOX5GAAKMT2AMEN1TDP1
SCHEMBL101242 0.96 ALOX5 (0.39) ALOX5GAAKMT2AMEN1TDP1
SCHEMBL13220466 0.96 ALOX5 (0.39) ALOX5GAAKMT2AMEN1TDP1
SCHEMBL3287819 0.96 ALOX5 (0.41) ALOX5GAAKMT2AMEN1TDP1
SCHEMBL100778 0.96 ALOX5 (0.41) ALOX5GAAKMT2AMEN1TDP1
SCHEMBL2549825 0.96 ALOX5 (0.39) ALOX5GAAKMT2AMEN1TDP1
SCHEMBL2556099 0.96 ALOX5 (0.39) ALOX5GAAKMT2AMEN1TDP1
SCHEMBL101256 0.96 ALOX5 (0.41) ALOX5GAAKMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9546300-B2 Coating composition for coated substrates and methods of making the same PPG INDUSTRIES OHIO, INC. (US) 2017-01-17 US disclosed
US-9532405-B2 Stack including heater layer and drain layer PPG INDUSTRIES OHIO, INC. (US) 2016-12-27 US disclosed
US-20160174296-A1 STACK INCLUDING HEATER LAYER AND DRAIN LAYER PPG INDUSTRIES OHIO, INC. 2016-06-16 US disclosed
US-20160122573-A1 PROTECTIVE COATING SYSTEM FOR PLASTIC SUBSTRATE PPG INDUSTRIES OHIO, INC. 2016-05-05 US disclosed
US-9326327-B2 Stack including heater layer and drain layer PPG INDUSTRIES OHIO, INC. (US) 2016-04-26 US disclosed
US-20150096969-A1 STACK INCLUDING HEATER LAYER AND DRAIN LAYER PPG INDUSTRIES OHIO, INC. 2015-04-09 US disclosed