SCHEMBL5853890

SCHEMBL5853890

O=C([O-])CN(CC(=O)[O-])Cc1cc(C(=O)c2ccccc2)cc(CN(CC(=O)[O-])CC(=O)[O-])c1O.O=C([O-])CN(CC(=O)[O-])Cc1cc(C(=O)c2ccccc2)cc(CN(CC(=O)[O-])CC(=O)[O-])c1O.O=C([O-])CN(CC(=O)[O-])Cc1cc(C(=O)c2ccccc2)cc(CN(CC(=O)[O-])CC(=O)[O-])c1O.[Tb+3].[Tb+3].[Tb+3].[Tb+3]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 3/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SRD5A2 P31213 1/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PTGS1 P23219 1/20 0.36
ACHE P22303 1/20 0.36
NPC1 O15118 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
SCHEMBL3973204 0.86 ALDH1A1 (0.45) GABRA1GABRB1ALDH1A1ATMTDP1
SCHEMBL5853906 0.85 GABRA1 (0.44) GABRA1GABRB1ALDH1A1ATMTDP1
SCHEMBL14496266 0.80 PTGS2 (0.47) GABRA1GABRB1ALDH1A1TDP1PTGS2
SCHEMBL9307985 0.79 FASN (0.32) ALDH1A1TDP1L3MBTL1MEN1RAB9A
SCHEMBL9000847 0.78 PTGS2 (0.47) GABRA1GABRB1ALDH1A1L3MBTL1PTGS2
SCHEMBL9174258 0.74 ACHE (0.47) GABRA1GABRB1ATML3MBTL1PTGS2
SCHEMBL28702678 0.74 GABRA1 (0.56) GABRA1GABRB1ALDH1A1ATMTDP1
Hydrochloric Acid SCHEMBL10428393 0.70 PTGS2 (0.49) GABRA1GABRB1ALDH1A1TDP1L3MBTL1
SCHEMBL12742694 0.68 ACHE (0.50) ALDH1A1ATMTDP1L3MBTL1PTGS2
SCHEMBL3349765 0.67 ATM (0.84) GABRA1GABRB1ALDH1A1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495315-B1 A flow-through electrode device LABMASTER LTD (FI) 2013-08-21 EP disclosed
US-7005108-B2 Insulator electrode devices LABMASTER LTD. (FI) 2006-02-28 US disclosed
US-20030192780-A1 Insulator electrode devices GATES FRONTIER, LLC 2003-10-16 US disclosed