SCHEMBL2761500

SCHEMBL2761500

CCCCCCCCOS(=O)(=O)[O-].CCCCOC(=O)c1ccc[n+](CCCC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HSP90AA1 P07900 2/20 0.48
BLM P54132 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAD52 P43351 1/20 0.48
APAF1 O14727 1/20 0.48
USP2 O75604 1/20 0.48
XBP1 P17861 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
STS P08842 6/20 0.46
RECQL P46063 2/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
MAPK1 P28482 1/20 0.45
EPHX2 P34913 1/20 0.45
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL26184983 0.87 LMNA (0.61) LMNAALDH1A1HSP90AA1BLMSMN1; SMN2
SCHEMBL2761345 0.87 STS (0.48) LMNAALDH1A1BLMSTSRECQL
Bromide SCHEMBL7623772 0.86 LMNA (0.63) LMNAALDH1A1HSP90AA1BLMSMN1; SMN2
SCHEMBL2760923 0.83 LMNA (0.47) LMNAALDH1A1HSP90AA1BLMSMN1; SMN2
SCHEMBL1573921 0.78 GLA (0.63) LMNAALDH1A1HSP90AA1BLMSMN1; SMN2
SCHEMBL1416500 0.77 RECQL (0.62) LMNAHSP90AA1BLMSMN1; SMN2RAD52
SCHEMBL1416644 0.77 RECQL (0.62) LMNAHSP90AA1BLMSMN1; SMN2RAD52
Dibutyl Phthalate SCHEMBL28221240 0.77 ALDH1A1 (0.71) LMNAALDH1A1BLMSMN1; SMN2STS
Bromide SCHEMBL10582124 0.76 LMNA (0.57) LMNAALDH1A1HSP90AA1BLMSMN1; SMN2
SCHEMBL8778093 0.76 LMNA (0.56) LMNAALDH1A1STSTSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9555394-B2 Method of making ionic liquid mediated sol-gel sorbents UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-31 US disclosed
US-20140057048-A1 METHOD OF MAKING IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-27 US disclosed
US-8623279-B2 Ionic liquid mediated sol-gel sorbents UNIVERSITY OF SOUTH FLORIDA (US) 2014-01-07 US disclosed
US-20120128551-A1 IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2012-05-24 US disclosed
WO-2010135660-A2 IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2010-11-25 WO disclosed