SCHEMBL27743014

SCHEMBL27743014

CCCCCCCC/C=C\CCCCCCCC(=O)P(=O)(O)OCC(O)CO

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.62
LPAR1 Q92633 7/20 0.59
LPAR3 Q9UBY5 4/20 0.59
LPAR4 Q99677 3/20 0.59
LPAR2 Q9HBW0 3/20 0.59
ENPP2 Q13822 3/20 0.59
LPAR5 Q9H1C0 2/20 0.59
CES2 O00748 1/20 0.59
LPAR6 P43657 1/20 0.59
TRPV1 Q8NER1 1/20 0.59
SELP P16109 1/20 0.58
FAAH O00519 2/20 0.53
S1PR1 P21453 1/20 0.52
P2RY10 O00398 5/20 0.51
GPR174 Q9BXC1 5/20 0.51
GPR34 Q9UPC5 3/20 0.51
KDM4E B2RXH2 1/20 0.49
DUSP3 P51452 1/20 0.49

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
SCHEMBL30708598 0.82 SELP (0.67) DGKALPAR1LPAR3LPAR4LPAR2
SCHEMBL30708597 0.82 SELP (0.67) DGKALPAR1LPAR3LPAR4LPAR2
SCHEMBL28539597 0.82 SELP (0.67) DGKALPAR1LPAR3LPAR4LPAR2
SCHEMBL3619239 0.82 LPAR3 (0.57) LPAR1LPAR3LPAR2ENPP2FAAH
SCHEMBL30957106 0.81 DGKA (0.68) DGKALPAR1LPAR3LPAR4LPAR2
SCHEMBL3624757 0.81 LPAR3 (0.62) LPAR1LPAR3LPAR2ENPP2DUSP3
SCHEMBL3620347 0.81 LPAR3 (0.62) LPAR1LPAR3LPAR2ENPP2DUSP3
SCHEMBL3624764 0.81 LPAR3 (0.59) LPAR1LPAR3LPAR2ENPP2FAAH
SCHEMBL31347442 0.81 DGKA (0.79) DGKALPAR1LPAR3LPAR4LPAR2
SCHEMBL31347415 0.81 DGKA (0.79) DGKALPAR1LPAR3LPAR4LPAR2

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
CN-102449161-A Biomarkers associated with insulin resistance and methods of using the same METABOLON INC 2012-05-09 CN disclosed
CN-101310011-A Ex-vivo application of solid microparticulate therapeutic agents BAXTER INT (US) 2008-11-19 CN disclosed