SCHEMBL8368665

SCHEMBL8368665

CC(C)c1cc(C(C)c2ccccc2)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.46
FABP4 P15090 2/20 0.46
FABP5 Q01469 1/20 0.46
TYR P14679 2/20 0.43
PGAM1 P18669 1/20 0.40
GABRA1 P14867 2/20 0.38
GABRB2 P47870 1/20 0.38
MCL1 Q07820 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
GMNN O75496 1/20 0.36
POLB P06746 1/20 0.36
PMP22 Q01453 1/20 0.36
GABRB1 P18505 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
SCHEMBL8365856 0.97 FABP3 (0.44) FABP3FABP4FABP5TYRPGAM1
SCHEMBL8370461 0.93 TYR (0.44) FABP3FABP4FABP5TYRPGAM1
SCHEMBL8369773 0.91 TYR (0.43) FABP3FABP4FABP5TYRPGAM1
SCHEMBL8369669 0.91 TYR (0.43) FABP3FABP4FABP5TYRPGAM1
SCHEMBL8367489 0.91 TYR (0.43) FABP3FABP4FABP5TYRPGAM1
SCHEMBL8370442 0.87 TYR (0.47) FABP3FABP4FABP5TYRPGAM1
SCHEMBL8370448 0.85 TYR (0.43) TYRPGAM1ALDH1A1MAPTNPSR1
SCHEMBL8370459 0.84 TYR (0.42) TYRPGAM1MCL1ALDH1A1MAPT
SCHEMBL8365873 0.84 TYR (0.45) TYRPGAM1GABRA1MCL1ALDH1A1
SCHEMBL8370445 0.84 TRPA1 (0.38) FABP3FABP4FABP5TYRPGAM1

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 2 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