SCHEMBL6548552

SCHEMBL6548552

C=CCc1ccccc1S(=O)(=O)O.C=CCc1ccccc1S(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
POLB P06746 1/20 0.42
MYC P01106 1/20 0.41
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TTR P02766 1/20 0.35
AKR1B1 P15121 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL30700 1.00 GABRA1 (0.44) GABRA1GABRB2POLBMYCCYP2D6
SCHEMBL553259 0.98 POLB (0.45) GABRA1GABRB2POLBMYCCYP2D6
SCHEMBL10441275 0.98 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6
Water SCHEMBL10337655 0.98 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6
SCHEMBL3774653 0.98 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6
Phosphine SCHEMBL4233486 0.98 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6
Phosphine SCHEMBL4233487 0.98 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6
Hydrochloric Acid SCHEMBL3958477 0.98 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6
Potassium SCHEMBL9463470 0.98 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6
SCHEMBL27170 0.98 GABRA1 (0.43) GABRA1GABRB2POLBMYCCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1384772-A1 Detergent tablet UNILEVER N.V. (NL) 2004-01-28 EP disclosed
US-20040014630-A1 Detergent tablet UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-01-22 US disclosed
US-20040014629-A1 Process for the production of detergent granules UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-01-22 US disclosed
EP-1382667-A1 Process for the production of detergent granules UNILEVER N.V. (NL) 2004-01-21 EP disclosed