SCHEMBL8516809

SCHEMBL8516809

O=S(=O)(O)c1ccc(O)c(-c2cccc(S(=O)(=O)O)c2O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 4/20 0.46
ATIC P31939 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PGAM1 P18669 1/20 0.40
PKLR P30613 3/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C9 P11712 3/20 0.39
HIF1A Q16665 2/20 0.39
PTPRA P18433 1/20 0.39
PTPRB P23467 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
DUSP5 Q16690 1/20 0.38
LMNA P02545 1/20 0.37
NT5E P21589 1/20 0.36
SERPINE1 P05121 1/20 0.36

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
SCHEMBL8517631 0.83 ALDH1A1 (0.49) HSD17B10ALDH1A1ATICKDM4EHPGD
SCHEMBL8517108 0.82 PGAM1 (0.47) HSD17B10ALDH1A1ATICHPGDTSHR
SCHEMBL8516709 0.82 ALDH1A1 (0.63) HSD17B10ALDH1A1KDM4EHPGDTSHR
SCHEMBL8516810 0.81 PGAM1 (0.45) HSD17B10ALDH1A1ATICHPGDTSHR
SCHEMBL8516332 0.81 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4EHPGDTSHR
SCHEMBL8516948 0.77 ALDH1A1 (0.38) HSD17B10ALDH1A1KDM4EHPGDTSHR
SCHEMBL8516764 0.76 CNR1 (0.45) ALDH1A1PGAM1CASP6KDM4AUSP2
SCHEMBL8517059 0.75 PGAM1 (0.44) HSD17B10ALDH1A1ATICKDM4EHPGD
SCHEMBL8516628 0.75 PGAM1 (0.47) HSD17B10ALDH1A1TSHRTDP1PGAM1
SCHEMBL8516576 0.74 TYR (0.40) HSD17B10ALDH1A1KDM4EHPGDTSHR

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