SCHEMBL3681372

SCHEMBL3681372

CCCCCCOC(=O)C(CCCCCC)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.52
LAP3 P28838 2/20 0.49
SMPD1 P17405 3/20 0.47
LPAR3 Q9UBY5 3/20 0.47
LPAR1 Q92633 2/20 0.47
LPAR2 Q9HBW0 2/20 0.47
NAAA Q02083 1/20 0.47
S1PR2 O95136 5/20 0.45
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 5/20 0.45
S1PR4 O95977 4/20 0.45
EPHX1 P07099 1/20 0.44

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
SCHEMBL9485820 1.00 FDPS (0.52) FDPSLAP3SMPD1LPAR3LPAR1
SCHEMBL9486490 0.98 FDPS (0.50) FDPSLAP3SMPD1LPAR3LPAR1
SCHEMBL9486473 0.97 FDPS (0.47) FDPSLAP3SMPD1LPAR3LPAR1
SCHEMBL17053099 0.88 FDPS (0.53) FDPSLAP3SMPD1LPAR3LPAR2
SCHEMBL27811200 0.88 FDPS (0.53) FDPSLAP3SMPD1LPAR3LPAR2
SCHEMBL4268938 0.88 FDPS (0.53) FDPSLAP3SMPD1LPAR3LPAR2
SCHEMBL9488560 0.88 LPAR3 (0.48) FDPSLAP3LPAR3LPAR1LPAR2
SCHEMBL27811198 0.88 FDPS (0.53) FDPSLAP3SMPD1LPAR3LPAR2
Butane SCHEMBL2044770 0.86 LPAR3 (0.47) FDPSLAP3LPAR3LPAR1LPAR2
Butane SCHEMBL2047170 0.86 LPAR3 (0.47) FDPSLAP3LPAR3LPAR1LPAR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093889-A1 POLYLACTIC ACID COMPOSITION TEIJIN LIMITED (JP) 2010-04-15 US disclosed
EP-2135897-A1 POLYLACTIC ACID COMPOSITION Teijin Limited (JP) 2009-12-23 EP disclosed