SCHEMBL7090900

SCHEMBL7090900

Cc1ccc(Oc2ccccc2S(=O)(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.54
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.47
HTR2A P28223 2/20 0.45
SLC6A4 P31645 2/20 0.45
POLB P06746 3/20 0.45
RXFP1 Q9HBX9 2/20 0.45
L3MBTL1 Q9Y468 4/20 0.43
MEN1 O00255 1/20 0.43
APEX1 P27695 1/20 0.43
KMT2A Q03164 1/20 0.43
FFAR1 O14842 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
MYC P01106 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL7974728 0.98 CASP1 (0.53) CASP1HTTSMN1; SMN2LMNAHTR2A
Trimethylammonium SCHEMBL2248922 0.95 CASP1 (0.51) CASP1HTTSMN1; SMN2LMNAHTR2A
SCHEMBL9242715 0.86 CASP1 (0.49) CASP1HTTSMN1; SMN2LMNAPOLB
SCHEMBL32661421 0.85 CASP1 (0.51) CASP1HTTSMN1; SMN2LMNAPOLB
SCHEMBL158361 0.85 CASP1 (0.51) CASP1HTTSMN1; SMN2LMNAPOLB
SCHEMBL17916236 0.84 LTA4H (0.48) CASP1HTTSMN1; SMN2LMNAPOLB
Hydrochloric Acid SCHEMBL11219372 0.84 CASP1 (0.50) CASP1HTTSMN1; SMN2LMNAPOLB
Ammonia Solution, Strong SCHEMBL1120715 0.84 CASP1 (0.50) CASP1HTTSMN1; SMN2LMNAPOLB
SCHEMBL3877575 0.83 CASP1 (0.51) CASP1HTTSMN1; SMN2LMNAHTR2A
SCHEMBL1537165 0.83 POLB (0.48) CASP1HTTSMN1; SMN2POLBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973855-B1 BLEACH COMPOSITIONS CONTAINING METAL BLEACH CATALYST, AND BLEACH ACTIVATORS AND/OR ORGANIC PERCARBOXYLIC ACIDS PROCTER & GAMBLE (US) 2003-08-06 EP claimed
EP-0874896-B1 ENCAPSULATED BLEACH PARTICLES UNILEVER PLC (GB) 2000-08-09 EP claimed