SCHEMBL19155508

SCHEMBL19155508

O=P(O)(O)CCCCCCCCCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(CCCCCCCCCO)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.33
LPAR2 Q9HBW0 1/20 0.33
TYMS P04818 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL22684705 0.94 LPAR3 (0.36) LPAR3LPAR2TYMSALDH1A1TDP1
SCHEMBL19141196 0.93 LPAR3 (0.37) LPAR3LPAR2TYMSALDH1A1TDP1
SCHEMBL19118691 0.86
SCHEMBL19119215 0.84
SCHEMBL24840643 0.75 LPAR3 (0.41) LPAR3LPAR2TYMSALDH1A1TDP1
SCHEMBL29977629 0.75 LPAR3 (0.41) LPAR3LPAR2TYMSALDH1A1TDP1
SCHEMBL5050932 0.75 LPAR3 (0.41) LPAR3LPAR2TYMSALDH1A1TDP1
SCHEMBL29978504 0.75 LPAR3 (0.41) LPAR3LPAR2TYMSALDH1A1TDP1
SCHEMBL20998197 0.75
SCHEMBL20998176 0.74

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-3192854-A1 ITEM IN WHICH THE SURFACE IS TREATED WITH A COUPLING AGENT HAVING OLEOPHOBIC AND/OR HYDROPHOBIC NATURE SIKEMIA (FR) 2017-07-19 EP disclosed