SCHEMBL6516786

SCHEMBL6516786

CCCCCCCCCCCCCCCC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.49
GAA P10253 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP6 P55212 1/20 0.39
KDM4E B2RXH2 2/20 0.37
RECQL P46063 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAOB P27338 5/20 0.37
MAOA P21397 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL6474023 1.00 SHMT2 (0.49) SHMT2GAAKMT2AMEN1ALDH1A1
SCHEMBL6949017 0.90 SHMT2 (0.54) SHMT2GAAKMT2AMEN1ALDH1A1
SCHEMBL14429848 0.82 ALDH1A1 (0.48) SHMT2GAAKMT2AALDH1A1MAPT
SCHEMBL8872421 0.82 SHMT2 (0.73) SHMT2GAAKMT2AMEN1ALDH1A1
SCHEMBL11854606 0.82 SHMT2 (0.73) SHMT2GAAKMT2AMEN1ALDH1A1
SCHEMBL13597544 0.79 SHMT2 (0.46) SHMT2GAAKMT2AMEN1ALDH1A1
SCHEMBL8423717 0.77 GAA (0.43) SHMT2GAAKMT2AMEN1ALDH1A1
SCHEMBL6720846 0.77 POLB (0.48) SHMT2GAAKMT2AMEN1ALDH1A1
SCHEMBL14559417 0.76 SHMT2 (0.77) SHMT2GAAKMT2AMEN1ALDH1A1
SCHEMBL11798045 0.76 S1PR3 (0.37) KMT2AMEN1ALDH1A1LMNAKDM4E

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