SCHEMBL8516535

SCHEMBL8516535

CC(c1ccccc1)c1cc(-c2cccc(S(=O)(=O)O)c2O)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.40
TYR P14679 1/20 0.40
MMP14 P50281 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NFKB1 P19838 2/20 0.36
KDM4A O75164 1/20 0.36
USP2 O75604 1/20 0.36
NSD2 O96028 1/20 0.36
ALPL P05186 1/20 0.36
PLCG1 P19174 1/20 0.36
TNNI3 P19429 1/20 0.36
TNNT2 P45379 1/20 0.36
CASP6 P55212 1/20 0.36
TNNC1 P63316 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MCL1 Q07820 4/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 5/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33

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 0.98 PGAM1 (0.39) PGAM1TYRMMP14L3MBTL1NFKB1
SCHEMBL8516052 0.86 TYR (0.38) PGAM1TYRUSP2TNNI3TNNT2
SCHEMBL8516817 0.85 CHRM2 (0.37) PGAM1MMP14L3MBTL1NFKB1KDM4A
SCHEMBL8516554 0.83 TYR (0.44) TYRTNNI3TNNT2TNNC1MCL1
SCHEMBL8516664 0.81 TYR (0.42) TYRTNNI3TNNT2TNNC1MAPT
SCHEMBL8517086 0.81 TYR (0.40) PGAM1TYRTNNI3TNNT2TNNC1
SCHEMBL8365824 0.79 TYR (0.42) PGAM1TYRMMP14CYP1A2MAPT
SCHEMBL8517059 0.77 PGAM1 (0.44) PGAM1MMP14L3MBTL1NFKB1KDM4A
SCHEMBL9243488 0.77 TYR (0.58) TYRUSP2MCL1MAPTKMT2A
SCHEMBL8367583 0.76 TYR (0.41) PGAM1TYRMMP14CYP1A2MAPT

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