SCHEMBL8517003

SCHEMBL8517003

CCCc1cc(-c2cc(CCC)c(O)c(S(=O)(=O)O)c2)cc(C(C)c2ccccc2)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.35
PPARG P37231 6/20 0.34
PPARA Q07869 6/20 0.34
BRD4 O60885 2/20 0.33
PGAM1 P18669 1/20 0.33
TSHR P16473 2/20 0.32
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8516323 0.98 TYR (0.34) TYRPPARGPPARABRD4PGAM1
SCHEMBL8515906 0.87 TRPA1 (0.33) PPARGPPARAPGAM1TSHRGABRA1
SCHEMBL8370459 0.82 TYR (0.42) TYRPGAM1TSHRHTTGAA
SCHEMBL8516720 0.81 HSD17B10 (0.39) PGAM1GABRA1GABRB2LMNAHPGD
SCHEMBL8368871 0.80 TYR (0.40) TYRPGAM1TSHRHTTGAA
SCHEMBL8516704 0.79 TYR (0.46) TYRPGAM1TSHRHTTGAA
SCHEMBL8367648 0.77 PGAM1 (0.42) TYRBRD4PGAM1TSHRNPSR1
SCHEMBL8517116 0.77 TYR (0.43) TYRPGAM1TSHRHTTGAA
SCHEMBL8367572 0.76 TYR (0.41) TYRBRD4PGAM1TSHRHTT
SCHEMBL8368679 0.76 PGAM1 (0.41) TYRBRD4PGAM1TSHRNPSR1

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