SCHEMBL15048700

SCHEMBL15048700

CC(N)C(=O)OC(COP(=O)(O)OCC(O)CO)COP(=O)(O)OC(COC(=O)CCCc1ccccc1)COC(=O)CCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.49
SELP P16109 1/20 0.48
GPR174 Q9BXC1 10/20 0.43
P2RY10 O00398 9/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
GPR34 Q9UPC5 1/20 0.41

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
SCHEMBL15061862 1.00 LPAR1 (0.49) LPAR1SELPGPR174P2RY10ADRB2
SCHEMBL15048730 0.86 LPAR1 (0.41) LPAR1
SCHEMBL15061845 0.82 ADRB2 (0.53) LPAR1ADRB2ADRB1ADRB3
SCHEMBL15048706 0.82 ADRB2 (0.53) LPAR1ADRB2ADRB1ADRB3
SCHEMBL15061850 0.82 ADRB2 (0.53) LPAR1ADRB2ADRB1ADRB3
SCHEMBL15061856 0.78 LPAR1 (0.53) LPAR1ADRB2ADRB1ADRB3
SCHEMBL15049350 0.78 LPAR1 (0.53) LPAR1ADRB2ADRB1ADRB3
SCHEMBL15049845 0.78 LPAR1 (0.45) LPAR1GPR174P2RY10ADRB2ADRB1
SCHEMBL15061852 0.78 LPAR1 (0.45) LPAR1GPR174P2RY10ADRB2ADRB1
SCHEMBL1983179 0.74 ADRB2 (0.66) LPAR1ADRB2ADRB1ADRB3

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