SCHEMBL7736962

SCHEMBL7736962

Cc1ccc(S(=O)O)c(S(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
CYP2A6 P11509 3/20 0.36
CYP1A2 P05177 2/20 0.36
TP53 P04637 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
CSNK2A1 P68400 1/20 0.34
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
SLC6A4 P31645 1/20 0.33
HPGD P15428 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 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
SCHEMBL8934344 0.84 ALDH1A1 (0.39) TRPA1CYP2A6CYP1A2TP53TDP1
SCHEMBL7170552 0.84 TDP1 (0.44) TRPA1CYP2A6CYP1A2TP53TDP1
SCHEMBL11343549 0.82 ALDH1A1 (0.38) TRPA1CYP2A6CYP1A2TP53TDP1
SCHEMBL11330503 0.82 TDP1 (0.43) TRPA1CYP2A6CYP1A2TP53TDP1
SCHEMBL5175336 0.80 MAOB (0.35) TRPA1CYP2A6CYP1A2TP53TDP1
SCHEMBL17340534 0.80 CSNK2A1 (0.35) TRPA1CYP2A6CYP1A2TP53TDP1
SCHEMBL10707086 0.80 RAB9A (0.37) TRPA1ALDH1A1HPGDLMNAMEN1
SCHEMBL17027626 0.79 SLC6A4 (0.36) TRPA1CYP1A2TP53TDP1ALDH1A1
SCHEMBL7653242 0.79 MAOB (0.34) TRPA1CYP2A6CYP1A2TP53TDP1
SCHEMBL10826657 0.77 ACHE (0.52) TP53ALDH1A1HPGDLMNAMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6409328-B1 BY MEANS OF A THERMAL PRINTER HEAD; COMPOUND CAPABLE OF RELEASING A STRONG ACID UNDER THE ACTION OF HEAT AND A COMPOUND CAPABLE OF FORMING A DYE BY THE REACTION WITH AN ACID FUJI PHOTO FILM CO., LTD. (JP) 2002-06-25 US disclosed