SCHEMBL8367490

SCHEMBL8367490

CC(CC(c1ccccc1)c1ccccc1C(C)(C)c1ccc(O)c(S(=O)(=O)O)c1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
LMNA P02545 4/20 0.34
MAPT P10636 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
HRH1 P35367 2/20 0.34
ESR1 P03372 1/20 0.34
CHRM4 P08173 1/20 0.34
KCNE1 P15382 1/20 0.34
PTGS1 P23219 1/20 0.34
HRH2 P25021 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNQ1 P51787 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL8370537 0.85 TYR (0.40) RORCLMNAMAPTCHRM2CHRM5
SCHEMBL8365853 0.83 TYR (0.38) RORCLMNAMAPTCHRM2CHRM5
SCHEMBL8367486 0.81 TRPA1 (0.36) LMNAMAPTCHRM2CHRM1CHRM3
SCHEMBL8516728 0.81 LMNA (0.40) LMNAMAPTCHRM2CHRM5CHRM1
SCHEMBL8365934 0.80 TRPA1 (0.41) LMNAMAPTCHRM2CHRM5CHRM1
SCHEMBL8369683 0.77 ESR1 (0.43) LMNAESR1HPGDHIF1AHSD17B10
SCHEMBL8368891 0.76 TRPA1 (0.36) LMNACHRM2CHRM1CHRM3HRH1
SCHEMBL8517187 0.76 CNR1 (0.33) RORCLMNAMAPTCHRM2CHRM5
SCHEMBL8369688 0.76 ESR2 (0.38) RORCLMNAESR1SLC6A4TRPA1
SCHEMBL8365994 0.76 TRPA1 (0.34) LMNAMAPTCHRM2CHRM5CHRM1

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-0714785-B1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI CHEMICALS INC (JP) 1999-01-07 EP disclosed
US-5647896-A MULTIVALENT SALT OF A SALICYLIC ACID DERIVATIVE, SULFONATED PHENOL MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-15 US disclosed
EP-0714785-A1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-06-05 EP disclosed