SCHEMBL503609

SCHEMBL503609

CCCCCCCCC(C)C(CCCCC)P(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.59
LAP3 P28838 2/20 0.55
S1PR2 O95136 5/20 0.55
S1PR1 P21453 5/20 0.55
S1PR3 Q99500 5/20 0.55
S1PR4 O95977 4/20 0.55
SMPD1 P17405 3/20 0.53
LPAR3 Q9UBY5 3/20 0.48
LPAR2 Q9HBW0 1/20 0.48

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
SCHEMBL503644 1.00 FDPS (0.59) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL3980052 0.94 FDPS (0.57) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL3980150 0.86 FDPS (0.61) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL11317045 0.86 FDPS (0.61) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL1881912 0.86 FDPS (0.61) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL10824019 0.82 FDPS (0.61) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL17758285 0.82 FDPS (0.61) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL11283829 0.82 FDPS (0.61) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL9557240 0.80 FDPS (0.59) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL4323347 0.79 FDPS (0.46) FDPSLAP3S1PR2S1PR1S1PR3

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-20120028033-A1 PHASE-SEPARATED STRUCTURE AND PRODUCTION METHOD THEREFOR TOHOKU UNIVERSITY (JP) 2012-02-02 US disclosed