SCHEMBL2640107

SCHEMBL2640107

O=C(NO)c1ccc(O)c(O)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.50
SELP P16109 1/20 0.50
MPO P05164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 2/20 0.41
TERT O14746 2/20 0.40
ALOX5 P09917 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HDAC7 Q8WUI4 2/20 0.38
HDAC3 O15379 1/20 0.38
IDO1 P14902 1/20 0.38
ALOX15 P16050 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
SCHEMBL15495184 0.83 SELL (0.48) SELLSELPKDM4EGAATERT
SCHEMBL29404142 0.81 SELL (0.67) SELLSELPKDM4EGAASMN1; SMN2
SCHEMBL157512 0.81 SELL (0.67) SELLSELPKDM4EGAASMN1; SMN2
SCHEMBL4164842 0.80 KDM4C (0.47) SELLSELPKDM4ETERTALOX5
SCHEMBL9313474 0.79 SELL (0.58) SELLSELPMPOKDM4EGAA
Ammonia Solution, Strong SCHEMBL28928633 0.79 SELL (0.64) SELLSELPKDM4EGAASMN1; SMN2
SCHEMBL8602382 0.79 CYP1A2 (0.44) SELLSELPMPOKDM4EGAA
SCHEMBL28558475 0.79 SELL (0.71) SELLSELPKDM4EGAASMN1; SMN2
SCHEMBL28558473 0.79 SELL (0.64) SELLSELPKDM4EGAASMN1; SMN2
SCHEMBL19426016 0.79 SELL (0.44) SELLSELPKDM4ETERTALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4786656-B2 2011-10-05 JP claimed
EP-1766076-A2 METHODS FOR TARGET MOLECULE DETECTION USING SIDEROPHORES AND RELATED COMPOSITIONS Perkinelmer Las, Inc. (US) 2007-03-28 EP claimed
US-20060019279-A1 Methods for target molecule detection using siderophores and related compositions PERKINELMER LAS, INC. (US) 2006-01-26 US claimed
WO-2005123954-A2 METHODS FOR TARGET MOLECULE DETECTION USING SIDEROPHORES AND RELATED COMPOSITIONS PERKINELMER LAS, INC. (US) 2005-12-29 WO claimed
EP-1766076-B1 METHODS FOR TARGET MOLECULE DETECTION USING SIDEROPHORES AND RELATED COMPOSITIONS PERKINELMER LAS INC (US) 2015-12-02 EP disclosed
US-8859291-B2 Methods for target molecule detection using siderophores and related compositions PERKINELMER LAS, INC. (US) 2014-10-14 US disclosed
EP-1766076-A2 METHODS FOR TARGET MOLECULE DETECTION USING SIDEROPHORES AND RELATED COMPOSITIONS Perkinelmer Las, Inc. (US) 2007-03-28 EP disclosed
US-20060019279-A1 Methods for target molecule detection using siderophores and related compositions PERKINELMER LAS, INC. (US) 2006-01-26 US disclosed
WO-2005123954-A2 METHODS FOR TARGET MOLECULE DETECTION USING SIDEROPHORES AND RELATED COMPOSITIONS PERKINELMER LAS, INC. (US) 2005-12-29 WO disclosed