SCHEMBL13239603

SCHEMBL13239603

CCNCCCCCP(=O)(O)CP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 7/20 0.50
S1PR1 P21453 7/20 0.50
S1PR3 Q99500 7/20 0.50
S1PR4 O95977 6/20 0.50
S1PR5 Q9H228 1/20 0.50
SAT1 P21673 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
LPAR3 Q9UBY5 3/20 0.41
LPAR2 Q9HBW0 1/20 0.41
KDM1A O60341 1/20 0.39
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL767556 0.84 S1PR2 (0.68) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL767878 0.84 S1PR2 (0.68) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL766904 0.84 S1PR2 (0.68) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL767663 0.84 S1PR2 (0.68) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL13239581 0.82 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL6688615 0.78 LPAR3 (0.67) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL2953046 0.78 LPAR3 (0.67) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL13239617 0.77 MEN1 (0.57) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL2948337 0.76 LPAR3 (0.64) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL14029178 0.74 KDM4E (0.54) S1PR2S1PR1S1PR3S1PR4TSHR

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-7754200-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2010-07-13 US disclosed