SCHEMBL22798380

SCHEMBL22798380

CCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)O

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.79
ENPP2 Q13822 8/20 0.77
LPAR3 Q9UBY5 7/20 0.77
LPAR1 Q92633 6/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
MAPT P10636 1/20 0.69
MAPK1 P28482 1/20 0.69
PRKCA P17252 2/20 0.68
PRKCE Q02156 2/20 0.68
PRKCQ Q04759 2/20 0.68
PRKCD Q05655 2/20 0.68
LPAR2 Q9HBW0 3/20 0.59
LPAR6 P43657 1/20 0.59
LPAR4 Q99677 1/20 0.59
LPAR5 Q9H1C0 1/20 0.59

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
SCHEMBL22798379 1.00 S1PR1 (0.79) S1PR1ENPP2LPAR3LPAR1SMN1; SMN2
SCHEMBL27892952 1.00 S1PR1 (0.79) S1PR1ENPP2LPAR3LPAR1SMN1; SMN2
SCHEMBL16040993 1.00 S1PR1 (0.79) S1PR1ENPP2LPAR3LPAR1SMN1; SMN2
SCHEMBL18932079 1.00 S1PR1 (0.79) S1PR1ENPP2LPAR3LPAR1SMN1; SMN2
SCHEMBL22798411 1.00 S1PR1 (0.79) S1PR1ENPP2LPAR3LPAR1SMN1; SMN2
SCHEMBL22798172 1.00 S1PR1 (0.79) S1PR1ENPP2LPAR3LPAR1SMN1; SMN2
SCHEMBL22798410 1.00 S1PR1 (0.79) S1PR1ENPP2LPAR3LPAR1SMN1; SMN2
Alcohol SCHEMBL28119149 0.99 S1PR1 (0.77) S1PR1ENPP2LPAR3LPAR1SMN1; SMN2
Monoethanolamine SCHEMBL28004764 0.93 S1PR1 (0.71) S1PR1ENPP2LPAR3LPAR1SMN1; SMN2
SCHEMBL22797755 0.92 S1PR1 (0.93) S1PR1ENPP2LPAR3LPAR1SMN1; SMN2

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
US-20250037787-A1 CONCENTRATION BOUNDS IN LARGE NETWORKS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-01-30 US disclosed
EP-3753020-A1 CONCENTRATION BOUNDS IN LARGE NETWORKS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-12-23 EP disclosed