SCHEMBL7789448

SCHEMBL7789448

Cc1ccc(S(=O)(=O)OCC[n+]2cccc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 0.52
ACHE P22303 12/20 0.52
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL29752682 0.77 KDM4E (0.50) BCHEACHEKDM4EMEN1KMT2A
SCHEMBL6930623 0.76 KDM4E (0.50) BCHEACHEKDM4EMEN1KMT2A
SCHEMBL2812104 0.76 KDM4E (0.43) KDM4EMEN1KMT2A
SCHEMBL11070778 0.75 KDM4E (0.58) BCHEACHEKDM4EMEN1KMT2A
SCHEMBL11608873 0.75 CA12 (0.42) BCHEACHEMEN1KMT2A
1-Ethylquinolonium SCHEMBL11069884 0.74 KDM4E (0.50) BCHEACHEKDM4EMEN1KMT2A
SCHEMBL241884 0.73 CA1 (0.52) KMT2A
SCHEMBL15661681 0.70 GAA (0.50) BCHEACHEKDM4EMEN1KMT2A
SCHEMBL10602153 0.70 STAT3 (0.42) KDM4E
Water SCHEMBL7788572 0.69 CA1 (0.50) KMT2A

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
US-20010016731-A1 Methods and apparatus for accelerated orthokeratology DEVORE DALE (US) 2001-08-23 US disclosed
US-6161544-A Methods for accelerated orthokeratology KERATOFORM, INC. (US) 2000-12-19 US disclosed