SCHEMBL15061856

SCHEMBL15061856

C[C@@H](N)C(=O)OCC(COC(=O)CCCc1ccccc1)OP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.53
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
ALOX5 P09917 1/20 0.45
TLR2 O60603 2/20 0.42
FAAH O00519 1/20 0.40
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL15049350 1.00 LPAR1 (0.53) LPAR1ADRB2ADRB1ADRB3ALOX5
SCHEMBL15048732 0.91 LPAR1 (0.62) LPAR1ADRB2ADRB1ADRB3ALOX5
SCHEMBL15049845 0.84 LPAR1 (0.45) LPAR1ADRB2ADRB1ADRB3ALOX5
SCHEMBL15061852 0.84 LPAR1 (0.45) LPAR1ADRB2ADRB1ADRB3ALOX5
SCHEMBL15061850 0.83 ADRB2 (0.53) LPAR1ADRB2ADRB1ADRB3ALOX5
SCHEMBL15048706 0.83 ADRB2 (0.53) LPAR1ADRB2ADRB1ADRB3ALOX5
SCHEMBL15061845 0.83 ADRB2 (0.53) LPAR1ADRB2ADRB1ADRB3ALOX5
SCHEMBL15061853 0.83 TLR2 (0.48) LPAR1ADRB2ADRB1ADRB3ALOX5
SCHEMBL15048720 0.83 TLR2 (0.48) LPAR1ADRB2ADRB1ADRB3ALOX5
SCHEMBL15048824 0.83 ADRB2 (0.62) LPAR1ADRB2ADRB1ADRB3ALOX5

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