SCHEMBL8516704

SCHEMBL8516704

CC(c1ccccc1)c1cc(-c2ccc(O)cc2)cc(S(=O)(=O)O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.46
PGAM1 P18669 1/20 0.37
MMP3 P08254 1/20 0.36
BCL2L1 Q07817 1/20 0.36
ESR1 P03372 5/20 0.35
ESR2 Q92731 3/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
TSHR P16473 2/20 0.34
UQCRB P14927 1/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
MMP16 P51512 1/20 0.34
KMT2A Q03164 3/20 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
SCHEMBL8517116 0.97 TYR (0.43) TYRPGAM1MMP3BCL2L1ESR1
SCHEMBL8370459 0.93 TYR (0.42) TYRPGAM1MMP3TSHRMMP1
SCHEMBL8368871 0.91 TYR (0.40) TYRPGAM1TSHRMMP1MMP2
SCHEMBL8517086 0.86 TYR (0.40) TYRPGAM1ESR1ESR2TSHR
SCHEMBL8370442 0.85 TYR (0.47) TYRPGAM1TSHRKMT2AMEN1
SCHEMBL8516596 0.84 TRPA1 (0.36) TYRPGAM1MMP3BCL2L1ESR1
SCHEMBL8365873 0.82 TYR (0.45) TYRPGAM1ESR1ESR2PDCD1
SCHEMBL8370461 0.82 TYR (0.44) TYRPGAM1TSHRKMT2AMEN1
SCHEMBL8367489 0.81 TYR (0.43) TYRPGAM1ESR1ESR2PDCD1
SCHEMBL8369773 0.81 TYR (0.43) TYRPGAM1ESR1ESR2PDCD1

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