SCHEMBL6533749

SCHEMBL6533749

C=CC[n+]1cccc(S(=O)(=O)[O-])c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
CA7 P43166 2/20 0.31
CA12 O43570 2/20 0.31
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL6533751 0.83 TSHR (0.41) HDAC1HDAC4
SCHEMBL11150598 0.78 C5AR1 (0.41) CA1CA2CA9CA7CA12
SCHEMBL10918144 0.74 KDM4E (0.33)
Sulfuric Acid SCHEMBL3203303 0.74 BCHE (0.31)
SCHEMBL10781117 0.72 LMNA (0.54)
SCHEMBL140003 0.72 CA12 (0.40) CA9CA12
SCHEMBL5133383 0.72 HDAC1 (0.35) HDAC1HDAC4
SCHEMBL11383237 0.71 USP2 (0.50) CA2
Sulfuric Acid SCHEMBL3203309 0.71 TDP1 (0.31)
SCHEMBL18919845 0.71 HDAC1 (0.34) HDAC1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051655-B1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2005-09-28 EP disclosed
EP-1051655-A4 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2003-03-19 EP disclosed
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
EP-1051655-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY Ista Pharmaceuticals, Inc. (US) 2000-11-15 EP disclosed
WO-1999039238-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY KERATOFORM, INC. (US) 1999-08-05 WO disclosed