SCHEMBL15061844

SCHEMBL15061844

O=C(CCCc1ccccc1)OCC(CO)OC(=O)CCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.61
PRKCA P17252 2/20 0.55
PRKCE Q02156 2/20 0.55
PRKCQ Q04759 2/20 0.55
PRKCD Q05655 2/20 0.55
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
LPAR1 Q92633 6/20 0.51
TDP1 Q9NUW8 1/20 0.49
TLR2 O60603 2/20 0.48
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
Glycerol Phenylbutyrate SCHEMBL10102804 0.93 ADRB2 (0.56) MGLLADRB2ADRB1ADRB3LPAR1
SCHEMBL15048820 0.90 MGLL (0.74) MGLLADRB2ADRB1ADRB3LPAR1
SCHEMBL3784212 0.86 ALDH1A1 (0.56) MGLLPRKCAPRKCEPRKCQPRKCD
SCHEMBL18894277 0.86 ADRB2 (0.51) MGLLADRB2ADRB1ADRB3LPAR1
SCHEMBL1892709 0.86 ALDH1A1 (0.56) MGLLPRKCAPRKCEPRKCQPRKCD
SCHEMBL31744529 0.84 ADRB2 (0.52) MGLLADRB2ADRB1ADRB3LPAR1
SCHEMBL31744536 0.84 ADRB2 (0.56) MGLLADRB2ADRB1ADRB3LPAR1
SCHEMBL1983179 0.82 ADRB2 (0.66) MGLLADRB2ADRB1ADRB3LPAR1
SCHEMBL18912716 0.82 ADRB2 (0.50) MGLLPRKCAPRKCEPRKCQPRKCD
SCHEMBL27665720 0.81 ALDH1A1 (0.69) MGLLPRKCAPRKCEPRKCQPRKCD

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-2607366-A1 Glycerol phenyl butyrate esters Lunamed AG (CH) 2013-06-26 EP disclosed