SCHEMBL2760858

SCHEMBL2760858

CCCCCCCCCCCOC[n+]1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
GGPS1 O95749 3/20 0.46
FDPS P14324 1/20 0.43
NR5A1 Q13285 1/20 0.42
LMNA P02545 3/20 0.37
HSP90AA1 P07900 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAD52 P43351 1/20 0.37
APAF1 O14727 1/20 0.37
USP2 O75604 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LTA4H P09960 1/20 0.37
TSHR P16473 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
SCHEMBL2761291 1.00 KDM4E (0.50) KDM4EGGPS1FDPSNR5A1LMNA
SCHEMBL2761016 1.00 KDM4E (0.50) KDM4EGGPS1FDPSNR5A1LMNA
SCHEMBL2761243 1.00 KDM4E (0.50) KDM4EGGPS1FDPSNR5A1LMNA
SCHEMBL468675 1.00 KDM4E (0.50) KDM4EGGPS1FDPSNR5A1LMNA
Hydrochloric Acid SCHEMBL2761023 0.98 KDM4E (0.49) KDM4EGGPS1FDPSNR5A1LMNA
Hydrochloric Acid SCHEMBL2761038 0.98 KDM4E (0.49) KDM4EGGPS1FDPSNR5A1LMNA
SCHEMBL2760994 0.94 KDM4E (0.49) KDM4EGGPS1FDPSNR5A1LMNA
SCHEMBL6115387 0.87 KDM4E (0.47) KDM4EGGPS1FDPSALDH1A1LTA4H
Hydrochloric Acid SCHEMBL2761537 0.86 KDM4E (0.46) KDM4EGGPS1FDPSHSP90AA1ALDH1A1
SCHEMBL1512933 0.79 HSP90AA1 (0.49) GGPS1FDPSLMNAHSP90AA1ALDH1A1

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