SCHEMBL8516552

SCHEMBL8516552

CC(c1ccccc1)c1ccc(C(C)c2cccc(-c3cc(S(=O)(=O)O)ccc3O)c2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.39
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
PKLR P30613 2/20 0.36
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CYP1A2 P05177 2/20 0.34
HIF1A Q16665 2/20 0.34
TP53 P04637 1/20 0.34
ALOX12 P18054 1/20 0.34
ADAMTS4 O75173 1/20 0.33
CYP2D6 P10635 2/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
ESR1 P03372 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8516576 0.98 TYR (0.40) TYRHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL8516582 0.86 ALDH1A1 (0.42) TYRHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL8517615 0.86 ALDH1A1 (0.42) TYRHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL8516395 0.86 TYR (0.40) TYRHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL8516413 0.84 MAPT (0.36) HSD17B10ALDH1A1KDM4EHPGDPKLR
SCHEMBL8516553 0.83 TYR (0.40) TYRHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL8516396 0.81 PGAM1 (0.36) TYRHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL8365957 0.79 TYR (0.49) TYRHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL8370432 0.78 TYR (0.45) TYRHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL8370496 0.78 TYR (0.39) TYRALDH1A1KDM4EHPGDCA12

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