SCHEMBL6517159

SCHEMBL6517159

O=S(=O)(O)c1cccc2c1oc1c(S(=O)(=O)O)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.52
COMT P21964 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
CYP1A2 P05177 3/20 0.40
CDK2 P24941 2/20 0.39
SNCA P37840 2/20 0.39
CHAT P28329 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NSD2 O96028 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
IDE P14735 1/20 0.38
DUSP3 P51452 1/20 0.38
CCR6 P51684 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL686660 0.87 MAOA (0.45) TTRCYP1A2SNCACHATALDH1A1
SCHEMBL26440481 0.81 MCL1 (0.43) TTRSNCAALDH1A1MEN1KMT2A
SCHEMBL29945017 0.79 MAOA (0.61) TTRALDH1A1HSD17B10
SCHEMBL6242 0.79 TTR (0.75) TTRCOMTAURKAAURKBCYP1A2
SCHEMBL30233642 0.79 TTR (0.75) TTRCOMTAURKAAURKBCYP1A2
SCHEMBL29363198 0.79 TTR (0.75) TTRCOMTAURKAAURKBCYP1A2
Ammonia Solution, Strong SCHEMBL25312340 0.77 TTR (0.72) TTRCOMTAURKAAURKBCYP1A2
SCHEMBL8028660 0.77 TTR (0.72) TTRCOMTAURKAAURKBCYP1A2
Lithium SCHEMBL18420655 0.77 TTR (0.72) TTRCOMTAURKAAURKBCYP1A2
Water SCHEMBL242080 0.77 TTR (0.72) TTRCOMTAURKAAURKBCYP1A2

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