SCHEMBL6115387

SCHEMBL6115387

CCCOC[n+]1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ACHE P22303 2/20 0.36
GGPS1 O95749 3/20 0.35
NPC1 O15118 1/20 0.33
BRD4 O60885 1/20 0.33
MITF O75030 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FDPS P14324 1/20 0.33
LTA4H P09960 1/20 0.33
ALDH1A1 P00352 3/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GLA P06280 1/20 0.30
BCHE P06276 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
Hydrochloric Acid SCHEMBL2761537 0.98 KDM4E (0.46) KDM4EACHEGGPS1NPC1BRD4
SCHEMBL2760994 0.90 KDM4E (0.49) KDM4EACHEGGPS1FDPSLTA4H
SCHEMBL2760858 0.87 KDM4E (0.50) KDM4EGGPS1FDPSLTA4HALDH1A1
SCHEMBL2761291 0.87 KDM4E (0.50) KDM4EGGPS1FDPSLTA4HALDH1A1
SCHEMBL468675 0.87 KDM4E (0.50) KDM4EGGPS1FDPSLTA4HALDH1A1
SCHEMBL2761016 0.87 KDM4E (0.50) KDM4EGGPS1FDPSLTA4HALDH1A1
SCHEMBL2761243 0.87 KDM4E (0.50) KDM4EGGPS1FDPSLTA4HALDH1A1
Hydrochloric Acid SCHEMBL2761023 0.86 KDM4E (0.49) KDM4EGGPS1FDPSLTA4HALDH1A1
Hydrochloric Acid SCHEMBL2761038 0.86 KDM4E (0.49) KDM4EGGPS1FDPSLTA4HALDH1A1
SCHEMBL21456850 0.76 KDM4E (0.66) KDM4EALDH1A1

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 4 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