SCHEMBL5550382

SCHEMBL5550382

COCCNCCOC.COCCNCCOC.COCCNCCOC.COCCNCCOC.O=C(Cc1ccccc1)OC(=O)C(=O)OC(=O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
LTA4H P09960 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 2/20 0.44
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 2/20 0.43
PAM P19021 1/20 0.42
ADRB2 P07550 1/20 0.42
GLA P06280 1/20 0.42

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
Phenylacetic Acid SCHEMBL1835502 0.84 AKR1B1 (0.59) KDM4ELTA4HTSHRMAPK1MAPK8
SCHEMBL5523777 0.83 SLC7A5 (0.45) KDM4EMEN1KMT2AALDH1A1L3MBTL1
Phenylacetic Acid SCHEMBL5550380 0.81 KDM4E (0.56) KDM4EMAPK1MAPK8MAPK10LMNA
SCHEMBL11247636 0.79 KDM4E (0.60) KDM4EMAPK8MAPK10LMNAMEN1
SCHEMBL28209071 0.75 TSHR (0.59) KDM4ETSHRMAPK1LMNAMEN1
SCHEMBL5551033 0.75 TSHR (0.56) KDM4ETSHRMAPK1LMNAALDH1A1
SCHEMBL16757591 0.75 LTA4H (0.54) KDM4ELTA4HMAPK1LMNAMEN1
SCHEMBL12500219 0.74 KDM4E (0.71) KDM4EMAPK1MAPK8MAPK10LMNA
Benzene SCHEMBL28096336 0.74 ALDH1A1 (0.62) KDM4ETSHRMAPK1LMNAMEN1
SCHEMBL1870609 0.74 ALDH1A1 (0.62) KDM4ETSHRMAPK1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805131-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2007-07-11 EP disclosed
WO-2005097731-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2005-10-20 WO disclosed