SCHEMBL8370446

SCHEMBL8370446

CC(c1ccccc1)c1cc(-c2ccccc2)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.42
PDE4B Q07343 1/20 0.36
PTPN1 P18031 2/20 0.36
TYR P14679 1/20 0.36
KMT2A Q03164 4/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS1 P23219 3/20 0.35
MEN1 O00255 2/20 0.35
PTGS2 P35354 2/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 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
SCHEMBL8367512 0.99 PGAM1 (0.41) PGAM1PDE4BPTPN1TYRKMT2A
SCHEMBL8517459 0.93 PGAM1 (0.40) PGAM1PDE4BPTPN1TYRKMT2A
SCHEMBL8516752 0.92 ESR1 (0.41) PGAM1PDE4BTYRKMT2ALMNA
SCHEMBL8369774 0.86 PGAM1 (0.44) PGAM1TYRKMT2ALMNAMAPT
SCHEMBL8516626 0.86 PGAM1 (0.43) PGAM1TYRKMT2ALMNAMAPT
SCHEMBL8516052 0.85 TYR (0.38) PGAM1TYRKMT2ALMNAMAPT
SCHEMBL8516873 0.85 PGAM1 (0.40) PGAM1TYRKMT2ALMNAMAPT
SCHEMBL8367628 0.84 PGAM1 (0.42) PGAM1TYRKMT2ALMNAMAPT
SCHEMBL8370423 0.83 TRPA1 (0.41) PGAM1PTPN1KMT2ALMNAMAPT
SCHEMBL8370461 0.82 TYR (0.44) PGAM1TYRKMT2ALMNAMAPT

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 2 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