SCHEMBL17533765

SCHEMBL17533765

O=C(O)CCC(CP(=O)(OCCCO)OCCCO)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 11/20 0.54
GRM3 Q14832 2/20 0.54
NAALAD2 Q9Y3Q0 1/20 0.54

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
SCHEMBL17504764 0.80 FOLH1 (0.58) FOLH1GRM3NAALAD2
SCHEMBL17504769 0.79 PLA2G2C (0.46) FOLH1GRM3NAALAD2
SCHEMBL20214857 0.77 FOLH1 (0.50) FOLH1GRM3NAALAD2
SCHEMBL19220635 0.76 PLA2G2C (0.43) FOLH1GRM3NAALAD2
SCHEMBL21804872 0.75 PPARD (0.44) FOLH1GRM3NAALAD2
SCHEMBL8053866 0.74 FOLH1 (0.59) FOLH1GRM3NAALAD2
SCHEMBL26424133 0.74 FOLH1 (0.39) FOLH1GRM3NAALAD2
SCHEMBL6381682 0.73 FOLH1 (0.78) FOLH1GRM3NAALAD2
SCHEMBL17533526 0.72 FOLH1 (0.47) FOLH1GRM3NAALAD2
SCHEMBL4135913 0.71 GRM3 (1.00) FOLH1GRM3NAALAD2

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
WO-2016022827-A1 PRODRUGS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITOR THE JOHNS HOPKINS UNIVERSITY (US) 2016-02-11 WO disclosed