SCHEMBL8516052

SCHEMBL8516052

CC(c1ccccc1)c1ccc(C(C)c2cc(-c3cc(C(C)c4ccccc4)cc(S(=O)(=O)O)c3O)ccc2O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.38
PGAM1 P18669 1/20 0.36
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 2/20 0.32
CHRM2 P08172 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
HRH1 P35367 2/20 0.32
PTPN5 P54829 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM4 P08173 1/20 0.32
KCNE1 P15382 1/20 0.32
PTGS1 P23219 1/20 0.32
HRH2 P25021 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL8516811 0.88 PGAM1 (0.39) TYRPGAM1LMNAMAPTKMT2A
SCHEMBL8367512 0.86 PGAM1 (0.41) TYRPGAM1LMNAMAPTKMT2A
SCHEMBL8516535 0.86 PGAM1 (0.40) TYRPGAM1LMNAMAPTKMT2A
SCHEMBL8517086 0.86 TYR (0.40) TYRPGAM1LMNAMAPTKMT2A
SCHEMBL8516752 0.85 ESR1 (0.41) TYRPGAM1LMNAMAPTKMT2A
SCHEMBL8370446 0.85 PGAM1 (0.42) TYRPGAM1LMNAMAPTKMT2A
SCHEMBL8517459 0.84 PGAM1 (0.40) TYRPGAM1LMNAMAPTKMT2A
SCHEMBL8516873 0.84 PGAM1 (0.40) TYRPGAM1LMNAMAPTKMT2A
SCHEMBL8516664 0.84 TYR (0.42) TYRLMNAMAPTKMT2ACHRM2
SCHEMBL8516554 0.81 TYR (0.44) TYRLMNAMAPTKMT2ACHRM2

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