SCHEMBL15049845

SCHEMBL15049845

CC(N)C(=O)OCC(COC(=O)CCCc1ccccc1)OP(=O)(O)OCCN(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.45
ALOX5 P09917 1/20 0.42
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
GPR34 Q9UPC5 1/20 0.40
GPR174 Q9BXC1 2/20 0.39
P2RY10 O00398 1/20 0.39
TLR2 O60603 1/20 0.39

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 1.00 LPAR1 (0.45) LPAR1ALOX5ADRB2ADRB1ADRB3
SCHEMBL15048729 0.93 LPAR1 (0.50) LPAR1ALOX5ADRB2ADRB1ADRB3
SCHEMBL15048730 0.92 LPAR1 (0.41) LPAR1
SCHEMBL15061856 0.84 LPAR1 (0.53) LPAR1ALOX5ADRB2ADRB1ADRB3
SCHEMBL15049350 0.84 LPAR1 (0.53) LPAR1ALOX5ADRB2ADRB1ADRB3
SCHEMBL15049869 0.83 LPAR1 (0.51) LPAR1
SCHEMBL15061865 0.79 FABP3 (0.52) LPAR1ALOX5ADRB2ADRB1ADRB3
SCHEMBL15061774 0.78 HPGD (0.47) GPR174
SCHEMBL15048700 0.78 LPAR1 (0.49) LPAR1ADRB2ADRB1ADRB3GPR34
SCHEMBL15061862 0.78 LPAR1 (0.49) LPAR1ADRB2ADRB1ADRB3GPR34

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