SCHEMBL5701855

SCHEMBL5701855

CCOP(=O)(CCCCCCCCCCC(N)CC)CP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 6/20 0.47
S1PR1 P21453 6/20 0.47
S1PR3 Q99500 6/20 0.47
S1PR4 O95977 5/20 0.47
LAP3 P28838 3/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ENPEP Q07075 1/20 0.37
FDPS P14324 3/20 0.35
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34

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
SCHEMBL2959705 0.81 CYP1A2 (0.41) ALDH1A1LPAR2LPAR3
SCHEMBL9702638 0.79 PPARD (0.46) ALDH1A1LPAR2LPAR3
SCHEMBL9701504 0.79 PPARD (0.46) ALDH1A1LPAR2LPAR3
SCHEMBL9700806 0.79 PPARD (0.46) ALDH1A1LPAR2LPAR3
Water SCHEMBL9701709 0.78 PPARD (0.44) ALDH1A1LPAR2LPAR3
SCHEMBL7528050 0.77 LMNA (0.48)
SCHEMBL9701509 0.77 PPARD (0.47) TDP1LPAR2LPAR3
SCHEMBL5701863 0.77 S1PR2 (0.42) S1PR2S1PR1S1PR3S1PR4LAP3
SCHEMBL9702696 0.74 LPAR3 (0.47) ALDH1A1LPAR2LPAR3
SCHEMBL5701859 0.73 S1PR2 (0.37) S1PR2S1PR1S1PR3S1PR4LAP3

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-1485391-B1 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORP (US) 2006-08-23 EP disclosed