SCHEMBL8370476

SCHEMBL8370476

CC(CC(c1ccccc1)c1cc(S(=O)(=O)O)c(-c2ccccc2)cc1O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.40
PTGS1 P23219 4/20 0.36
CHRM3 P20309 3/20 0.36
MEN1 O00255 2/20 0.36
PTGS2 P35354 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
FABP2 P12104 1/20 0.36
TSHR P16473 1/20 0.36
AKR1C4 P17516 1/20 0.36
ADRA2B P18089 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
CYP1A2 P05177 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
SCHEMBL8370434 0.90 TRPA1 (0.40) TRPA1PTGS1CHRM3MEN1PTGS2
SCHEMBL8365934 0.87 TRPA1 (0.41) TRPA1PTGS1CHRM3KMT2ALMNA
SCHEMBL8517199 0.85 ALDH1A1 (0.41) TRPA1PTGS1CHRM3MEN1KMT2A
SCHEMBL8367522 0.83 TYR (0.48) PTGS1CHRM3MEN1PTGS2KMT2A
SCHEMBL8365940 0.81 TYR (0.46) PTGS1CHRM3MEN1PTGS2KMT2A
SCHEMBL8365818 0.81 TRPA1 (0.36) TRPA1PTGS1CHRM3LMNAMAPT
SCHEMBL8517187 0.81 CNR1 (0.33) TRPA1PTGS1CHRM3LMNAMAPT
SCHEMBL8516728 0.81 LMNA (0.40) TRPA1PTGS1CHRM3MEN1KMT2A
SCHEMBL8370410 0.80 TRPA1 (0.39) TRPA1PTGS1CHRM3KMT2ALMNA
SCHEMBL8367569 0.79 TRPA1 (0.38) TRPA1TSHRCYP1A2CYP2C9CYP2C19

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