SCHEMBL19787880

SCHEMBL19787880

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC)COP(=O)(O)OCC

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.72
LPAR1 Q92633 4/20 0.72
ENPP2 Q13822 7/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
FABP3 P05413 1/20 0.68
LPAR2 Q9HBW0 2/20 0.65
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
SMPD1 P17405 1/20 0.62
SELP P16109 1/20 0.60
PLCG2 P16885 1/20 0.58

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
SCHEMBL14984104 0.95 LPAR3 (0.79) LPAR3LPAR1ENPP2SMN1; SMN2FABP3
SCHEMBL21249160 0.95 LPAR3 (0.79) LPAR3LPAR1ENPP2SMN1; SMN2FABP3
SCHEMBL12195367 0.95 LPAR3 (0.79) LPAR3LPAR1ENPP2SMN1; SMN2FABP3
SCHEMBL28671483 0.95 LPAR3 (0.79) LPAR3LPAR1ENPP2SMN1; SMN2FABP3
SCHEMBL17232172 0.91 LPAR3 (0.85) LPAR3LPAR1ENPP2SMN1; SMN2FABP3
SCHEMBL23225826 0.88 SELP (0.76) LPAR3LPAR1ENPP2SMN1; SMN2FABP3
SCHEMBL40543 0.88 SELP (0.76) LPAR3LPAR1ENPP2SMN1; SMN2FABP3
SCHEMBL21641458 0.88 SELP (0.76) LPAR3LPAR1ENPP2SMN1; SMN2FABP3
SCHEMBL2622733 0.88 SELP (0.76) LPAR3LPAR1ENPP2SMN1; SMN2FABP3
SCHEMBL40542 0.88 SELP (0.76) LPAR3LPAR1ENPP2SMN1; SMN2FABP3

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
US-9872870-B2 Multifunctional micellar nanoparticle-based drug and targeting agent system UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-01-23 US disclosed