SCHEMBL15048729

SCHEMBL15048729

CN(C)CCOP(=O)(O)OC(COC(=O)CCCc1ccccc1)COC(=O)CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.50
ALOX5 P09917 1/20 0.47
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
TDP1 Q9NUW8 1/20 0.40
GPR34 Q9UPC5 1/20 0.40

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
SCHEMBL15061852 0.93 LPAR1 (0.45) LPAR1ALOX5ADRB2ADRB1ADRB3
SCHEMBL15049845 0.93 LPAR1 (0.45) LPAR1ALOX5ADRB2ADRB1ADRB3
SCHEMBL15048730 0.89 LPAR1 (0.41) LPAR1
SCHEMBL15049869 0.89 LPAR1 (0.51) LPAR1
SCHEMBL15061865 0.85 FABP3 (0.52) LPAR1ALOX5ADRB2ADRB1ADRB3
SCHEMBL15061769 0.82 HPGD (0.52)
SCHEMBL15048732 0.80 LPAR1 (0.62) LPAR1ALOX5ADRB2ADRB1ADRB3
SCHEMBL22083633 0.78 SIGMAR1 (0.50)
SCHEMBL15061774 0.76 HPGD (0.47)
SCHEMBL15049350 0.75 LPAR1 (0.53) LPAR1ALOX5ADRB2ADRB1ADRB3

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