SCHEMBL8516664

SCHEMBL8516664

CC(c1ccccc1)c1ccc(C(C)c2cc(-c3ccc(O)c(S(=O)(=O)O)c3)ccc2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.42
LMNA P02545 5/20 0.37
HPGD P15428 4/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MAPT P10636 4/20 0.34
CHRM2 P08172 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
HRH1 P35367 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
PTGS1 P23219 2/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL8516554 0.97 TYR (0.44) TYRLMNAHPGDHIF1AHSD17B10
SCHEMBL8517086 0.91 TYR (0.40) TYRLMNAHPGDCA12CA1
SCHEMBL8368874 0.84 LMNA (0.43) TYRLMNAHPGDHIF1AHSD17B10
SCHEMBL8370557 0.84 LMNA (0.43) TYRLMNAHPGDHIF1AHSD17B10
SCHEMBL8516811 0.84 PGAM1 (0.39) TYRLMNAHPGDHSD17B10CA12
SCHEMBL8516052 0.84 TYR (0.38) TYRLMNAHPGDCA12CA1
SCHEMBL8367642 0.83 TYR (0.50) TYRLMNAHPGDHIF1AHSD17B10
SCHEMBL8984112 0.83 TYR (0.51) TYRLMNAHPGDHSD17B10MAPT
SCHEMBL9243488 0.83 TYR (0.58) TYRLMNAHPGDHSD17B10MAPT
SCHEMBL8516728 0.81 LMNA (0.40) LMNAHPGDHIF1AHSD17B10MAPT

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