SCHEMBL4464469

SCHEMBL4464469

C=CCc1cccc(S)c1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
POLB P06746 1/20 0.38
AKR1B1 P15121 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 4/20 0.32
LMNA P02545 2/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 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
SCHEMBL5184511 0.83 GABRA1 (0.46) GABRA1GABRB2POLBAKR1B1MEN1
SCHEMBL370628 0.81 GABRA1 (0.49) GABRA1GABRB2POLBAKR1B1MEN1
SCHEMBL729518 0.80 GABRA1 (0.43) GABRA1GABRB2POLBAKR1B1MEN1
Ammonia Solution, Strong SCHEMBL9440354 0.80 GABRA1 (0.47) GABRA1GABRB2POLBAKR1B1MEN1
Methane SCHEMBL27309395 0.79 GABRA1 (0.42) GABRA1GABRB2POLBAKR1B1MEN1
SCHEMBL27515375 0.78 ALOX15 (0.42) GABRA1GABRB2POLBMEN1KMT2A
SCHEMBL18690340 0.76 GABRA1 (0.47) GABRA1GABRB2POLBAKR1B1MEN1
SCHEMBL18762956 0.75 GABRA1 (0.39) GABRA1GABRB2POLBMEN1KMT2A
SCHEMBL7756902 0.75 GABRA1 (0.36) GABRA1GABRB2POLBAKR1B1MEN1
SCHEMBL9519277 0.74 KDM4E (0.39) GABRA1GABRB2POLBMEN1KMT2A

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-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
US-20070149639-A1 Polymerizable composition, optical material comprising the composition and method for producing the material HORIKOSHI HIROSHI 2007-06-28 US disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 US disclosed