SCHEMBL8370459

SCHEMBL8370459

CC(c1ccccc1)c1cc(-c2ccccc2)cc(S(=O)(=O)O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.42
PGAM1 P18669 1/20 0.39
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP12 P39900 2/20 0.36
MMP13 P45452 2/20 0.36
MMP14 P50281 2/20 0.36
MMP16 P51512 2/20 0.36
PTGS2 P35354 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL8368871 0.97 TYR (0.40) TYRPGAM1MMP1MMP2MMP9
SCHEMBL8516704 0.93 TYR (0.46) TYRPGAM1MMP1MMP2MMP9
SCHEMBL8517116 0.91 TYR (0.43) TYRPGAM1MMP1MMP2MMP9
SCHEMBL8517086 0.87 TYR (0.40) TYRPGAM1PTGS2NPSR1ALDH1A1
SCHEMBL8370461 0.85 TYR (0.44) TYRPGAM1NPSR1ALDH1A1LMNA
SCHEMBL8370442 0.85 TYR (0.47) TYRPGAM1NPSR1ALDH1A1LMNA
SCHEMBL8370448 0.84 TYR (0.43) TYRPGAM1NPSR1ALDH1A1LMNA
SCHEMBL8369773 0.84 TYR (0.43) TYRPGAM1NPSR1ALDH1A1LMNA
SCHEMBL8367489 0.84 TYR (0.43) TYRPGAM1NPSR1ALDH1A1LMNA
SCHEMBL8368665 0.84 FABP3 (0.46) TYRPGAM1NPSR1ALDH1A1LMNA

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