SCHEMBL8516626

SCHEMBL8516626

CC(c1ccccc1)c1cc(-c2ccccc2O)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.43
TYR P14679 2/20 0.37
ALDH1A1 P00352 6/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 3/20 0.35
SRC P12931 1/20 0.34
ADAMTS4 O75173 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HPGD P15428 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC4 P56524 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 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
SCHEMBL8516873 0.91 PGAM1 (0.40) PGAM1TYRALDH1A1MAPTKMT2A
SCHEMBL8516396 0.86 PGAM1 (0.36) PGAM1TYRALDH1A1MAPTKMT2A
SCHEMBL8370446 0.86 PGAM1 (0.42) PGAM1TYRALDH1A1MAPTKMT2A
SCHEMBL8367512 0.85 PGAM1 (0.41) PGAM1TYRALDH1A1MAPTKMT2A
SCHEMBL8367628 0.84 PGAM1 (0.42) PGAM1TYRALDH1A1MAPTKMT2A
SCHEMBL8369774 0.84 PGAM1 (0.44) PGAM1TYRALDH1A1MAPTKMT2A
SCHEMBL8517459 0.83 PGAM1 (0.40) PGAM1TYRALDH1A1MAPTKMT2A
SCHEMBL8516752 0.82 ESR1 (0.41) PGAM1TYRMAPTKMT2ALMNA
SCHEMBL8367648 0.81 PGAM1 (0.42) PGAM1TYRALDH1A1MAPTKMT2A
SCHEMBL8516052 0.80 TYR (0.38) PGAM1TYRALDH1A1MAPTKMT2A

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