SCHEMBL1345703

SCHEMBL1345703

CC(C)c1ccc(O)c(Cc2cc(C(C)C)cc(Cc3cc(C(C)C)cc(Cc4cc(C(C)C)cc(Cc5cc(C(C)C)cc(Cc6cc(C(C)C)ccc6O)c5O)c4O)c3O)c2O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.55
HIF1A Q16665 5/20 0.50
RNASEH1 O60930 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 4/20 0.48
ALDH1A1 P00352 3/20 0.48
ALOX12 P18054 3/20 0.48
GAA P10253 1/20 0.48
TRPA1 O75762 1/20 0.46
PTGS1 P23219 1/20 0.46
CACNA1C Q13936 1/20 0.46
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 3/20 0.42
HSP90AA1 P07900 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL1345461 1.00 AMY1A (0.55) AMY1AHIF1ARNASEH1CYP2C9CYP2C19
SCHEMBL3812859 1.00 AMY1A (0.55) AMY1AHIF1ARNASEH1CYP2C9CYP2C19
SCHEMBL1345304 1.00 AMY1A (0.55) AMY1AHIF1ARNASEH1CYP2C9CYP2C19
SCHEMBL1345280 1.00 AMY1A (0.55) AMY1AHIF1ARNASEH1CYP2C9CYP2C19
SCHEMBL50460 0.92 ALDH1A1 (0.55) AMY1AHIF1ARNASEH1CYP2C9CYP2C19
SCHEMBL1447186 0.91 AMY1A (0.69) AMY1AHIF1ARNASEH1CYP2C9CYP2C19
SCHEMBL1900496 0.86 AMY1A (0.45) AMY1AHIF1ARNASEH1CYP2C9CYP2C19
SCHEMBL15662983 0.84 AMY1A (0.58) AMY1AHIF1ARNASEH1CYP2C9CYP2C19
SCHEMBL12299327 0.80 KLF10 (0.43) AMY1AHIF1ARNASEH1CYP2C9CYP2C19
SCHEMBL27465724 0.79 AMY1A (0.42) AMY1AHIF1ARNASEH1CYP2C9CYP2C19

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