SCHEMBL6662690

SCHEMBL6662690

Cc1ccc(O)c(C(C)c2cc(C)cc(C(C)c3cc(C)cc(C(C)c4cc(C)ccc4O)c3O)c2O)c1.Cc1ccc(O)c(C(C)c2cc(C)cc(C(C)c3cc(C)ccc3O)c2O)c1.Cc1ccc(O)c(C(C)c2cc(C)ccc2O)c1.Cc1ccc(O)c(C(C)c2cc(C)ccc2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
CHRM1 P11229 3/20 0.48
TRPA1 O75762 2/20 0.48
ADRA1A P35348 2/20 0.48
SLC6A2 P23975 2/20 0.48
HTR2B P41595 2/20 0.48
TP53 P04637 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
AMY1A P0DUB6 1/20 0.44
MAPT P10636 3/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CHRM2 P08172 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM3 P20309 2/20 0.42
HRH1 P35367 2/20 0.42
PTGS1 P23219 2/20 0.42
ESR1 P03372 1/20 0.42
CHRM4 P08173 1/20 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
SCHEMBL1343118 1.00 LMNA (0.48) LMNACHRM1TRPA1ADRA1ASLC6A2
SCHEMBL1345227 1.00 LMNA (0.48) LMNACHRM1TRPA1ADRA1ASLC6A2
SCHEMBL1345836 1.00 LMNA (0.48) LMNACHRM1TRPA1ADRA1ASLC6A2
SCHEMBL1343575 1.00 LMNA (0.48) LMNACHRM1TRPA1ADRA1ASLC6A2
SCHEMBL50784 0.92 LMNA (0.56) LMNACHRM1TRPA1ADRA1ASLC6A2
SCHEMBL15625200 0.88 CHRM1 (0.51) LMNACHRM1TRPA1ADRA1ASLC6A2
SCHEMBL15071480 0.83 TP53 (0.41) LMNACHRM1TRPA1ADRA1ASLC6A2
SCHEMBL987107 0.82 GABRA1 (0.52) LMNACHRM1TRPA1ADRA1ASLC6A2
SCHEMBL17044924 0.80 TRPA1 (0.46) LMNACHRM1TRPA1ADRA1ASLC6A2
SCHEMBL11878851 0.79 LMNA (0.46) LMNACHRM1TRPA1ADRA1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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