SCHEMBL8516648

SCHEMBL8516648

Cc1ccc(S(=O)(=O)O)c(O)c1-c1c(O)ccc(C(C)c2ccc(C(C)c3ccccc3)cc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.38
NQO1 P15559 1/20 0.34
GAA P10253 3/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PGAM1 P18669 1/20 0.31
CYP1A2 P05177 1/20 0.30
TNNI3 P19429 1/20 0.30
TNNT2 P45379 1/20 0.30
TNNC1 P63316 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
ELANE P08246 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL8516707 0.89 TYR (0.39) TYRNQO1GAATSHRHTT
SCHEMBL8516638 0.89 TYR (0.42) TYRGAATSHRHTTNPSR1
SCHEMBL8516824 0.86 TYR (0.44) TYRGAATSHRHTTNPSR1
SCHEMBL8516881 0.85 TYR (0.37) TYRNQO1GAATSHRHTT
SCHEMBL8516690 0.79 TYR (0.38) TYRNQO1GAATSHRHTT
SCHEMBL8517032 0.79 GAA (0.35) GAATSHRHTTHPGDALDH1A1
SCHEMBL8516633 0.78 NQO1 (0.44) NQO1GAANPSR1HPGDALDH1A1
SCHEMBL8369772 0.77 TYR (0.42) TYRTSHRNPSR1HPGDALDH1A1
SCHEMBL8368895 0.77 VKORC1 (0.39) TYRNPSR1HPGDALDH1A1PGAM1
SCHEMBL8516616 0.77 TYR (0.36) TYRNQO1GAATSHRHTT

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