SCHEMBL8516616

SCHEMBL8516616

Cc1cccc(O)c1-c1c(C)c(S(=O)(=O)O)cc(C(C)c2ccc(C(C)c3ccccc3)cc2)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.36
HTT P42858 3/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
MPL P40238 4/20 0.33
ACHE P22303 1/20 0.32
PGAM1 P18669 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
SUMO2 P61956 1/20 0.31
SUMO1 P63165 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP3 Q9H4L4 1/20 0.31
SENP2 Q9HC62 1/20 0.31
SENP1 Q9P0U3 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8516690 0.89 TYR (0.38) TYRHTTGAATSHRNPSR1
SCHEMBL8516881 0.81 TYR (0.37) TYRHTTGAATSHRNPSR1
SCHEMBL8365854 0.80 VKORC1 (0.39) TYRHTTGAATSHRNPSR1
SCHEMBL8516707 0.78 TYR (0.39) TYRHTTGAATSHRNPSR1
SCHEMBL8516483 0.78 NQO1 (0.44) GAATSHRPGAM1ALDH1A1MAPT
SCHEMBL8516638 0.77 TYR (0.42) TYRHTTGAATSHRNPSR1
SCHEMBL8516648 0.77 TYR (0.38) TYRHTTGAATSHRNPSR1
SCHEMBL8367836 0.77 TYR (0.44) TYRHTTGAATSHRNPSR1
SCHEMBL8367625 0.77 TYR (0.48) TYRHTTGAATSHRNPSR1
SCHEMBL8369658 0.77 TYR (0.41) TYRHTTGAATSHRNPSR1

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