SCHEMBL1345503

SCHEMBL1345503

CC(C)c1ccc(O)c(C(c2ccccc2)c2cc(C(C)C)cc(C(c3ccccc3)c3cc(C(C)C)cc(C(c4ccccc4)c4cc(C(C)C)cc(C(c5ccccc5)c5cc(C(C)C)ccc5O)c4O)c3O)c2O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.45
GABRA1 P14867 4/20 0.44
GABRB2 P47870 3/20 0.44
ALOX12 P18054 3/20 0.44
HIF1A Q16665 3/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
TYR P14679 4/20 0.41
MAPT P10636 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MDM4 O15151 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL1345540 1.00 RNASEH1 (0.45) RNASEH1GABRA1GABRB2ALOX12HIF1A
SCHEMBL1343861 1.00 RNASEH1 (0.45) RNASEH1GABRA1GABRB2ALOX12HIF1A
SCHEMBL1345558 1.00 RNASEH1 (0.45) RNASEH1GABRA1GABRB2ALOX12HIF1A
SCHEMBL51407 0.93 ALOX12 (0.48) RNASEH1GABRA1GABRB2ALOX12HIF1A
SCHEMBL5712101 0.86 TYR (0.45) GABRA1GABRB2ALOX12HIF1ATP53
SCHEMBL1346802 0.86 TYR (0.45) GABRA1GABRB2ALOX12HIF1ATP53
SCHEMBL5712089 0.86 TYR (0.45) GABRA1GABRB2ALOX12HIF1ATP53
SCHEMBL1343864 0.86 TYR (0.45) GABRA1GABRB2ALOX12HIF1ATP53
SCHEMBL1345448 0.81 TYR (0.50) GABRA1GABRB2HIF1ATYRMAPT
SCHEMBL9818054 0.80 GABRA1 (0.50) GABRA1GABRB2ALOX12HIF1ATP53

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