SCHEMBL529628

SCHEMBL529628

O=C(O)/C=C\C=C(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
TP53 P04637 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALOX15 P16050 2/20 0.42
RECQL P46063 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PTGS1 P23219 1/20 0.36
PTPN1 P18031 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
GABRR1 P24046 2/20 0.32
GABRR2 P28476 2/20 0.32
BLM P54132 2/20 0.32
GABRR3 A8MPY1 1/20 0.32
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL529630 1.00 TSHR (0.44) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL27770604 0.79 TSHR (0.33) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL27770605 0.79 TSHR (0.33) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL454525 0.77 TSHR (0.44) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL19379407 0.77 TSHR (0.44) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL454524 0.77 TSHR (0.44) TSHRTP53EGLN1EGLN3ALDH1A1
Oxalic Acid SCHEMBL5806860 0.74 TSHR (0.57) TSHRTP53EGLN1EGLN3ALDH1A1
Oxalic Acid SCHEMBL5806857 0.74 TSHR (0.57) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL17856797 0.73 TSHR (0.33) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL351491 0.73 TSHR (0.67) TSHRTP53EGLN1EGLN3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969052-B2 Extracellular aldonolactonase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-03 US disclosed
US-20140193870-A1 EXTRACELLULAR ALDONOLACTONASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-07-10 US disclosed
US-8703452-B2 Extracellular aldonolactonase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-04-22 US disclosed
US-20140038245-A1 EXTRACELLULAR ALDONOLACTONASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-06 US disclosed
CN-103562400-A Extracellular aldactonase UNIV CALIFORNIA 2014-02-05 CN disclosed
US-8569022-B2 Extracellular aldonolactonase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-29 US disclosed
US-20130196396-A1 EXTRACELLULAR ALDONOLACTONASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-01 US disclosed
EP-2598643-A2 EXTRACELLULAR ALDONOLACTONASE The Regents of the University of California (US) 2013-06-05 EP disclosed
WO-2012106257-A1 PRODUCTION OF INDUSTRIALLY RELEVANT COMPOUNDS IN PROKARYOTIC ORGANISMS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2012-08-09 WO disclosed
WO-2012015545-A2 EXTRACELLULAR ALDONOLACTONSE THE REGENTS OF THE UNIERSITY OF CALIFORNIA (US) 2012-02-02 WO disclosed
US-20100209978-A1 GENE-DISRUPTED STRAIN, RECOMBINANT PLASMIDS, TRANSFORMANTS AND PROCESS FOR PRODUCTION OF 3-CARBOXYMUCONOLACTONE KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2010-08-19 US disclosed
EP-2147973-A1 GENE-DISRUPTED STRAIN, RECOMBINANT PLASMID, TRANSFORMANT AND METHOD OF PRODUCING 3-CARBOXYMUCONOLACTONE KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2010-01-27 EP disclosed