SCHEMBL1345571

SCHEMBL1345571

CC(C)c1ccc(O)c(C(C)c2cc(C(C)C)cc(C(C)c3cc(C(C)C)cc(C(C)c4cc(C(C)C)ccc4O)c3O)c2O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.52
GABRB2 P47870 3/20 0.52
RNASEH1 O60930 1/20 0.52
HIF1A Q16665 4/20 0.50
ALOX12 P18054 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
PTGS1 P23219 2/20 0.47
TRPA1 O75762 1/20 0.47
CACNA1C Q13936 1/20 0.47
TYR P14679 3/20 0.42
TDP1 Q9NUW8 6/20 0.40
MAPT P10636 5/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL1345157 1.00 GABRA1 (0.52) GABRA1GABRB2RNASEH1HIF1AALOX12
SCHEMBL1345550 1.00 GABRA1 (0.52) GABRA1GABRB2RNASEH1HIF1AALOX12
SCHEMBL1345992 1.00 GABRA1 (0.52) GABRA1GABRB2RNASEH1HIF1AALOX12
SCHEMBL50884 0.92 ALOX12 (0.57) GABRA1GABRB2RNASEH1HIF1AALOX12
SCHEMBL31655440 0.81 ALOX12 (0.59) GABRA1GABRB2RNASEH1HIF1AALOX12
SCHEMBL224395 0.81 ALOX12 (0.59) GABRA1GABRB2RNASEH1HIF1AALOX12
SCHEMBL11804395 0.79 TYR (0.56) GABRA1GABRB2RNASEH1HIF1AALOX12
Propofol SCHEMBL8804477 0.79 GABRA1 (0.63) GABRA1GABRB2RNASEH1HIF1AALOX12
SCHEMBL13788012 0.79 ALDH1A1 (0.48) GABRA1GABRB2RNASEH1HIF1AALOX12
SCHEMBL5712112 0.79 TYR (0.47) GABRA1GABRB2HIF1AALOX12HTT

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
EP-1724119-B1 DEVELOPER MIXTURE FOR THERMAL RECORDING MATERIALS AND THERMAL RECORDING MATERIALS MITSUBISHI CHEM CORP (JP) 2014-11-19 EP disclosed
US-8062993-B2 Developer mixture for thermal recording materials and thermal recording materials API CORPORATION (JP) 2011-11-22 US disclosed
US-20070173407-A1 Developer mixture for thermal recording materials and thermal recording materials API CORPORATION (JP) 2007-07-26 US disclosed
EP-1724119-A1 DEVELOPER MIXTURE FOR THERMAL RECORDING MATERIALS AND THERMAL RECORDING MATERIALS API Corporation (JP) 2006-11-22 EP disclosed