SCHEMBL8368243

SCHEMBL8368243

CC(CC(c1ccccc1)c1cc(S(=O)(=O)O)c(O)c(C(CC(C)c2ccccc2)c2ccccc2)c1O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.39
PGAM1 P18669 1/20 0.36
CYP2C9 P11712 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
VKORC1 Q9BQB6 1/20 0.36
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
ACLY P53396 1/20 0.32
GRIA4 P48058 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
SCHEMBL8370499 0.90 TRPA1 (0.38) TRPA1PGAM1CYP2C9CYP1A2CYP3A4
SCHEMBL8365997 0.90 TRPA1 (0.38) TRPA1PGAM1CYP2C9CYP1A2CYP3A4
SCHEMBL8365818 0.88 TRPA1 (0.36) TRPA1PGAM1CYP2C9CYP1A2CYP3A4
SCHEMBL8370514 0.86 TRPA1 (0.40) TRPA1PGAM1CYP2C9CYP1A2CYP3A4
SCHEMBL8368667 0.85 FABP3 (0.41) TRPA1PGAM1CYP2C9CYP1A2CYP3A4
SCHEMBL8367578 0.84 TRPA1 (0.38) TRPA1PGAM1CYP2C9CYP1A2CYP3A4
SCHEMBL8365850 0.84 TRPA1 (0.38) TRPA1PGAM1CYP2C9CYP1A2CYP3A4
SCHEMBL8367569 0.84 TRPA1 (0.38) TRPA1PGAM1CYP2C9CYP1A2CYP3A4
SCHEMBL8369544 0.82 CYP1A2 (0.51) TRPA1PGAM1CYP2C9CYP1A2CYP3A4
SCHEMBL8367573 0.82 TRPA1 (0.41) TRPA1CYP2C9CYP1A2VKORC1ALDH1A1

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