SCHEMBL8516554

SCHEMBL8516554

CC(c1ccccc1)c1cc(-c2ccc(O)c(S(=O)(=O)O)c2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.44
LMNA P02545 5/20 0.38
HPGD P15428 4/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGS1 P23219 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
HRH1 P35367 2/20 0.36
ESR1 P03372 1/20 0.36
CHRM4 P08173 1/20 0.36
KCNE1 P15382 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL8516664 0.97 TYR (0.42) TYRLMNAHPGDHIF1AHSD17B10
SCHEMBL8517086 0.89 TYR (0.40) TYRLMNAHPGDMAPTALDH1A1
SCHEMBL9243488 0.85 TYR (0.58) TYRLMNAHPGDHSD17B10MAPT
SCHEMBL8516728 0.83 LMNA (0.40) LMNAHPGDHIF1AHSD17B10MAPT
SCHEMBL8516535 0.83 PGAM1 (0.40) TYRLMNAHPGDHIF1AHSD17B10
SCHEMBL8368786 0.82 TYR (0.53) TYRLMNAHPGDHIF1AHSD17B10
SCHEMBL8516052 0.81 TYR (0.38) TYRLMNAHPGDMAPTALDH1A1
SCHEMBL8516811 0.81 PGAM1 (0.39) TYRLMNAHPGDHSD17B10MAPT
SCHEMBL8368874 0.81 LMNA (0.43) TYRLMNAHPGDHIF1AHSD17B10
SCHEMBL8370557 0.81 LMNA (0.43) TYRLMNAHPGDHIF1AHSD17B10

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