SCHEMBL8370451

SCHEMBL8370451

CC(C)c1ccc(O)c(S(=O)(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.52
HIF1A Q16665 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX12 P18054 2/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TYR P14679 3/20 0.47
TRPA1 O75762 1/20 0.47
PTGS1 P23219 1/20 0.47
CACNA1C Q13936 1/20 0.47
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MDM4 O15151 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL9297446 0.86 RNASEH1 (0.53) RNASEH1HIF1AALDH1A1ALOX12HTT
SCHEMBL10962414 0.85 RNASEH1 (0.52) RNASEH1HIF1AALDH1A1ALOX12HTT
SCHEMBL8368874 0.81 LMNA (0.43) HIF1AALDH1A1GAAHPGDLMNA
SCHEMBL8370557 0.81 LMNA (0.43) HIF1AALDH1A1GAAHPGDLMNA
SCHEMBL30026088 0.81 PTGS1 (0.52) RNASEH1HIF1AALDH1A1ALOX12HTT
SCHEMBL393740 0.81 PTGS1 (0.52) RNASEH1HIF1AALDH1A1ALOX12HTT
SCHEMBL11400623 0.81 FABP3 (0.53) RNASEH1HIF1AALDH1A1ALOX12HTT
SCHEMBL1807701 0.79 FABP3 (0.43) RNASEH1HIF1AALDH1A1ALOX12HTT
SCHEMBL1807705 0.79 FABP3 (0.43) RNASEH1HIF1AALDH1A1ALOX12HTT
SCHEMBL1365450 0.79 ALDH1A1 (0.48) RNASEH1HIF1AALDH1A1ALOX12HTT

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