SCHEMBL8516396

SCHEMBL8516396

CC(c1ccccc1)c1ccc(C(C)c2cc(-c3cc(S(=O)(=O)O)ccc3O)c(O)c(S(=O)(=O)O)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
PKLR P30613 2/20 0.33
TYR P14679 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 2/20 0.33
KMT2A Q03164 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP2C9 P11712 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
NSD2 O96028 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
CASP7 P55210 1/20 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 0.93 PGAM1 (0.40) PGAM1ALDH1A1KDM4EHPGDTYR
SCHEMBL8517615 0.89 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EHPGDPKLR
SCHEMBL8516582 0.89 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EHPGDPKLR
SCHEMBL8516626 0.86 PGAM1 (0.43) PGAM1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL8367512 0.82 PGAM1 (0.41) PGAM1ALDH1A1KDM4EHPGDTYR
SCHEMBL8369774 0.82 PGAM1 (0.44) PGAM1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL8516552 0.81 TYR (0.39) ALDH1A1HSD17B10KDM4EHPGDPKLR
SCHEMBL8370446 0.81 PGAM1 (0.42) PGAM1ALDH1A1KDM4EHPGDTYR
SCHEMBL8516052 0.80 TYR (0.38) PGAM1ALDH1A1HPGDTYRKMT2A
SCHEMBL8367628 0.79 PGAM1 (0.42) PGAM1ALDH1A1HSD17B10KDM4EHPGD

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