SCHEMBL11099396

SCHEMBL11099396

O=C(O)CCCCCCCCCCCCCCCCCc1ccccc1C(=O)[O-].O=C(O)CCCCCCCCCCCCCCCCCc1ccccc1C(=O)[O-].O=C(O)CCCCCCCCCCCCCCCCCc1ccccc1C(=O)[O-].[Al+3]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
F13A1 P00488 3/20 0.50
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
LTB4R Q15722 8/20 0.46
CYSLTR2 Q9NS75 2/20 0.46
CYSLTR1 Q9Y271 2/20 0.46
TBXAS1 P24557 2/20 0.46
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44

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
Water SCHEMBL9441844 0.98 MAPT (0.53) MAPTRXFP1F13A1HDAC3HDAC4
SCHEMBL11328206 0.95 MAPT (0.53) MAPTRXFP1F13A1HDAC3HDAC4
SCHEMBL4587439 0.86 LTB4R (0.46) MAPTRXFP1F13A1LTB4RCYSLTR2
SCHEMBL9785241 0.86 LTB4R (0.46) MAPTRXFP1F13A1LTB4RCYSLTR2
SCHEMBL9861570 0.85 MAPT (0.59) MAPTRXFP1F13A1HDAC3HDAC4
SCHEMBL503904 0.85 MAPT (0.59) MAPTRXFP1F13A1HDAC3HDAC4
SCHEMBL22826566 0.80 MAPT (0.67) MAPTRXFP1F13A1HDAC3HDAC4
Potassium Ion SCHEMBL472981 0.80 KDM4E (0.40)
SCHEMBL9791362 0.79 LIPG (0.53) CYSLTR2CYSLTR1
SCHEMBL11803044 0.79 LIPG (0.53) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0029589-B1 PROCESS FOR MAKING GREASE COMPOSITIONS Chattem, Inc. (US) 1984-07-04 EP disclosed