SCHEMBL8367496

SCHEMBL8367496

CC(CC(c1ccccc1)c1c(-c2ccccc2)ccc(S(=O)(=O)O)c1O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.42
GRIA4 P48058 6/20 0.37
CYP2C9 P11712 4/20 0.36
VKORC1 Q9BQB6 1/20 0.36
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
PGAM1 P18669 1/20 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
SCHEMBL8367573 0.87 TRPA1 (0.41) TRPA1GRIA4CYP2C9VKORC1LMNA
SCHEMBL8370528 0.86 TRPA1 (0.40) TRPA1GRIA4CYP2C9VKORC1LMNA
SCHEMBL8368699 0.84 VKORC1 (0.39) TRPA1GRIA4CYP2C9VKORC1LMNA
SCHEMBL8367494 0.82 VKORC1 (0.37) TRPA1GRIA4CYP2C9VKORC1LMNA
SCHEMBL8370423 0.81 TRPA1 (0.41) TRPA1GRIA4CYP2C9USP2LMNA
SCHEMBL8368404 0.81 TRPA1 (0.38) TRPA1GRIA4CYP2C9VKORC1LMNA
SCHEMBL8368243 0.80 TRPA1 (0.39) TRPA1GRIA4CYP2C9VKORC1LMNA
SCHEMBL8365818 0.78 TRPA1 (0.36) TRPA1GRIA4CYP2C9VKORC1LMNA
SCHEMBL8914597 0.78 TRPA1 (0.43) TRPA1GRIA4CYP2C9USP2LMNA
SCHEMBL8370422 0.78 TRPA1 (0.40) TRPA1CYP2C9VKORC1LMNAMAPT

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