SCHEMBL25836104

SCHEMBL25836104

CC(O)NCCCOP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.47
LPAR2 Q9HBW0 7/20 0.47
LPAR1 Q92633 5/20 0.47
SAT1 P21673 1/20 0.40
LPAR5 Q9H1C0 1/20 0.37
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
ENPP2 Q13822 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
PGD P52209 1/20 0.33

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
SCHEMBL2856264 0.77
SCHEMBL17754006 0.75 LPAR3 (0.54) LPAR3LPAR2LPAR1SAT1ENPP2
SCHEMBL13401021 0.74 LPAR3 (0.42) LPAR3LPAR2LPAR1PGK1PGK2
Hexadecyl Dihydrogen Phosphate SCHEMBL9365300 0.73 LPAR3 (0.72) LPAR3LPAR2LPAR1LPAR5ENPP2
Phosphoric Acid Monododecyl Ester SCHEMBL28098739 0.73 LPAR3 (0.72) LPAR3LPAR2LPAR1LPAR5ENPP2
SCHEMBL29098363 0.73 LPAR3 (0.72) LPAR3LPAR2LPAR1LPAR5ENPP2
SCHEMBL18501085 0.72 SAT1 (0.70) LPAR3LPAR2LPAR1SAT1ENPP2
SCHEMBL1923637 0.71 LPAR3 (0.54) LPAR3LPAR2LPAR1LPAR5
SCHEMBL7159566 0.71 LPAR3 (0.48) LPAR3LPAR2LPAR1SAT1ENPP2
SCHEMBL1576717 0.71 LPAR3 (0.64) LPAR3LPAR2LPAR1

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-4209483-A1 PRODRUG MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2023-07-12 EP disclosed