SCHEMBL1344700

SCHEMBL1344700

CC(c1ccccc1)c1ccc(O)c(C(C)c2cc(C(C)c3ccccc3)cc(C(C)c3cc(C(C)c4ccccc4)cc(C(C)c4cc(C(C)c5ccccc5)cc(C(C)c5cc(C(C)c6ccccc6)ccc5O)c4O)c3O)c2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.47
ESR1 P03372 2/20 0.39
PDCD1 Q15116 1/20 0.39
ESR2 Q92731 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
LMNA P02545 3/20 0.38
PTGS1 P23219 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
MAPT P10636 1/20 0.38
CHRM1 P11229 1/20 0.38
KCNE1 P15382 1/20 0.38
CHRM3 P20309 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL5712112 1.00 TYR (0.47) TYRESR1PDCD1ESR2CD274
SCHEMBL1345493 0.93 TYR (0.53) TYRESR1PDCD1ESR2CD274
SCHEMBL30336405 0.90 TYR (0.58) TYRESR1PDCD1ESR2CD274
SCHEMBL9081257 0.90 TYR (0.58) TYRESR1PDCD1ESR2CD274
SCHEMBL1347318 0.88 TYR (0.53) TYRESR1PDCD1ESR2CD274
SCHEMBL15131557 0.88 TYR (0.55) TYRESR1PDCD1ESR2CD274
SCHEMBL15131556 0.88 TYR (0.55) TYRESR1PDCD1ESR2CD274
SCHEMBL5712101 0.87 TYR (0.45) TYRESR1PDCD1ESR2CD274
SCHEMBL5712089 0.87 TYR (0.45) TYRESR1PDCD1ESR2CD274
SCHEMBL1346802 0.87 TYR (0.45) TYRESR1PDCD1ESR2CD274

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