SCHEMBL6431995

SCHEMBL6431995

C=CCc1cccc(S(=O)(=O)ON)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.51
GABRB2 P47870 1/20 0.51
AKR1B1 P15121 1/20 0.41
ELANE P08246 1/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 5/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 3/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.36
ALOX12 P18054 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL968801 0.84 GABRA1 (0.37) GABRA1GABRB2ELANEPOLBLMNA
SCHEMBL5459466 0.82 GABRA1 (0.59) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL8658348 0.81 GABRA1 (0.58) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL7135417 0.74 GABRA1 (0.44) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL168974 0.74 GABRA1 (0.79) GABRA1GABRB2AKR1B1KMT2AMEN1
Sulfuric Acid SCHEMBL10765800 0.72 GABRA1 (0.59) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL9268988 0.72 GABRA1 (0.59) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL5675435 0.71 POLB (0.71) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL21082748 0.71 GABRA1 (0.45) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL21082747 0.71 GABRA1 (0.45) GABRA1GABRB2AKR1B1ELANEKMT2A

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
WO-2004031474-A1 METHOD FOR REDUCING DEPOSITS IN INDUSTRIAL SYSTEMS CONTAINING WATER BY ADDITION OF HYDROPHOBIC ORGANIC SOLVENT AND TENSIDE POHLEN ALFRED (LU) 2004-04-15 WO claimed
EP-1556547-A1 ADDITIVE AND METHOD FOR AVOIDING OR AT LEAST REDUCING DEPOSITS IN WATER BEARING AND/OR CONTACTING INDUSTRIAL SYSTEMS Pohlen, Alfred (LU) 2005-07-27 EP disclosed
WO-2004031474-A1 METHOD FOR REDUCING DEPOSITS IN INDUSTRIAL SYSTEMS CONTAINING WATER BY ADDITION OF HYDROPHOBIC ORGANIC SOLVENT AND TENSIDE POHLEN ALFRED (LU) 2004-04-15 WO disclosed
WO-2004031481-A1 ADDITIVE AND METHOD FOR AVOIDING OR AT LEAST REDUCING DEPOSITS IN WATER BEARING AND/OR CONTACTING INDUSTRIAL SYSTEMS POHLEN ALFRED (LU) 2004-04-15 WO disclosed