SCHEMBL4596216

SCHEMBL4596216

CCCC(c1cc(C(C)c2ccccc2)ccc1O)c1cc(C(C)c2ccccc2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.45
LMNA P02545 4/20 0.45
MAPT P10636 3/20 0.45
CHRM2 P08172 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
HRH1 P35367 2/20 0.45
ESR1 P03372 2/20 0.45
CHRM4 P08173 1/20 0.45
KCNE1 P15382 1/20 0.45
PTGS1 P23219 1/20 0.45
HRH2 P25021 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNQ1 P51787 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45

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
SCHEMBL20917760 0.84 TSHR (0.55) TYRLMNAMAPTCHRM2CHRM5
SCHEMBL4596232 0.83 ALDH1A1 (0.47) TYRLMNAMAPTCHRM2CHRM5
SCHEMBL1345493 0.83 TYR (0.53) TYRLMNAMAPTCHRM2CHRM5
SCHEMBL30336405 0.83 TYR (0.58) TYRLMNAMAPTCHRM2CHRM5
SCHEMBL9081257 0.83 TYR (0.58) TYRLMNAMAPTCHRM2CHRM5
SCHEMBL20920806 0.82 TYR (0.51) TYRLMNAMAPTCHRM2CHRM5
SCHEMBL1345448 0.80 TYR (0.50) TYRLMNAMAPTCHRM2CHRM5
SCHEMBL5533895 0.80 TYR (0.50) TYRLMNAMAPTCHRM2CHRM5
SCHEMBL5712112 0.78 TYR (0.47) TYRLMNAMAPTCHRM2CHRM5
SCHEMBL1344700 0.78 TYR (0.47) TYRLMNAMAPTCHRM2CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437231-B1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API CORP (JP) 2008-01-09 EP disclosed
US-20040241598-A1 Developer for thermal recording material and thermal recording materials NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2004-12-02 US disclosed
EP-1437231-A1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API Corporation (JP) 2004-07-14 EP disclosed