SCHEMBL15061865

SCHEMBL15061865

C[N+](C)(C)CCOP(=O)(O)OC(COC(=O)CCCc1ccccc1)COC(=O)CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.52
LPAR1 Q92633 8/20 0.50
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
NR5A2 O00482 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR5A1 Q13285 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.42
ALOX5 P09917 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
SCHEMBL15048729 0.85 LPAR1 (0.50) LPAR1ADRB2ADRB1ADRB3TDP1
SCHEMBL15048732 0.80 LPAR1 (0.62) LPAR1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL18971342 0.80 FABP3 (0.77) FABP3LPAR1NR5A2SMN1; SMN2NR5A1
SCHEMBL15061852 0.79 LPAR1 (0.45) LPAR1ADRB2ADRB1ADRB3ALOX5
SCHEMBL15049845 0.79 LPAR1 (0.45) LPAR1ADRB2ADRB1ADRB3ALOX5
Bromide SCHEMBL5802388 0.79 TDP1 (0.60) ADRB2ADRB1ADRB3SMN1; SMN2TDP1
SCHEMBL15048730 0.76 LPAR1 (0.41) FABP3LPAR1
SCHEMBL15061856 0.75 LPAR1 (0.53) LPAR1ADRB2ADRB1ADRB3TDP1
SCHEMBL15049350 0.75 LPAR1 (0.53) LPAR1ADRB2ADRB1ADRB3TDP1
SCHEMBL14754796 0.75 FABP3 (0.72) FABP3LPAR1NR5A2SMN1; SMN2NR5A1

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