SCHEMBL8516690

SCHEMBL8516690

Cc1cccc(O)c1-c1c(C)c(C(C)c2ccccc2)cc(S(=O)(=O)O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.38
NQO1 P15559 1/20 0.36
PGAM1 P18669 1/20 0.36
HTT P42858 3/20 0.34
GAA P10253 3/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
ACHE P22303 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
SUMO2 P61956 1/20 0.32
SUMO1 P63165 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP3 Q9H4L4 1/20 0.32
SENP2 Q9HC62 1/20 0.32
SENP1 Q9P0U3 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 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
SCHEMBL8516616 0.89 TYR (0.36) TYRNQO1PGAM1HTTGAA
SCHEMBL8516881 0.85 TYR (0.37) TYRNQO1PGAM1HTTGAA
SCHEMBL8516483 0.80 NQO1 (0.44) NQO1PGAM1GAATSHRALDH1A1
SCHEMBL8516648 0.79 TYR (0.38) TYRNQO1PGAM1HTTGAA
SCHEMBL8367824 0.79 TYR (0.41) TYRPGAM1HTTGAATSHR
SCHEMBL8368703 0.78 TYR (0.40) TYRPGAM1HTTGAATSHR
SCHEMBL8369530 0.77 VKORC1 (0.39) TYRPGAM1HTTGAATSHR
SCHEMBL8516824 0.76 TYR (0.44) TYRPGAM1HTTGAATSHR
SCHEMBL8369686 0.76 TYR (0.50) TYRPGAM1HTTGAATSHR
SCHEMBL8367596 0.76 TYR (0.46) TYRPGAM1HTTGAATSHR

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