SCHEMBL16058993

SCHEMBL16058993

CC(=O)OP(=O)(O)OC(CO)COP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGD P52209 4/20 0.42
S1PR1 P21453 1/20 0.40
LPAR3 Q9UBY5 5/20 0.38
ENPP2 Q13822 5/20 0.38
LPAR1 Q92633 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38

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
SCHEMBL7328567 0.79 PGD (0.58) PGDS1PR1LPAR3ENPP2LPAR1
SCHEMBL680243 0.78 PGK1 (0.43) PGDS1PR1LPAR3ENPP2LPAR1
SCHEMBL6924985 0.75 PGK1 (0.39) PGDS1PR1LPAR3ENPP2LPAR1
SCHEMBL5594382 0.72 ENPP2 (0.50) PGDS1PR1LPAR3ENPP2LPAR1
SCHEMBL5297305 0.72 PGD (0.45) PGDS1PR1LPAR3ENPP2LPAR1
SCHEMBL429247 0.72 PGD (0.45) PGDS1PR1LPAR3ENPP2LPAR1
SCHEMBL19462882 0.70 PGK1 (0.43) PGDS1PR1LPAR3ENPP2LPAR1
SCHEMBL3447040 0.70 PGK1 (0.43) PGDS1PR1LPAR3ENPP2LPAR1
SCHEMBL17338080 0.70 PGK1 (0.43) PGDS1PR1LPAR3ENPP2LPAR1
SCHEMBL20673 0.70 S1PR1 (0.43) PGDS1PR1LPAR3ENPP2LPAR1

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-2971027-A2 USE OF PHOSPHOKETOLASE AND PHOSPHOTRANSACETYLASE FOR PRODUCTION OF ACETYL-COENZYME A DERIVED COMPOUNDS Amyris, Inc. (US) 2016-01-20 EP disclosed
WO-2014144135-A2 USE OF PHOSPHOKETOLASE AND PHOSPHOTRANSACETYLASE FOR PRODUCTION OF ACETYL-COENZYME A DERIVED COMPOUNDS Amyris, Inc. (US) 2014-09-18 WO disclosed