SCHEMBL1462396

SCHEMBL1462396

CCCC(CCCC/C=C\CCCCCCCC(=O)OCCO)CC(O)CO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.57
MGLL Q99685 1/20 0.53
FAAH O00519 2/20 0.49
LPAR1 Q92633 7/20 0.47
LPAR4 Q99677 3/20 0.47
LPAR2 Q9HBW0 3/20 0.47
LPAR3 Q9UBY5 3/20 0.47
EPHX2 P34913 1/20 0.47
ENPP2 Q13822 2/20 0.46
LPAR5 Q9H1C0 2/20 0.46
CES2 O00748 1/20 0.46
LPAR6 P43657 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKCA P17252 1/20 0.46
KDM4E B2RXH2 1/20 0.45
DUSP3 P51452 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL1462388 0.93 KDM4E (0.51) DGKAMGLLLPAR1LPAR4LPAR2
SCHEMBL8685383 0.91 DGKA (0.53) DGKAMGLLFAAHLPAR1LPAR4
SCHEMBL7128696 0.89 MGLL (0.65) DGKAMGLLFAAHLPAR1LPAR4
SCHEMBL1899102 0.86 KDM4E (0.52) DGKAMGLLFAAHLPAR1LPAR4
SCHEMBL1487853 0.85 KDM4E (0.55) DGKAMGLLFAAHLPAR1LPAR4
SCHEMBL2143293 0.84 DGKA (0.58) DGKAMGLLFAAHLPAR1LPAR4
SCHEMBL2905900 0.81 MGLL (0.62) DGKAMGLLFAAHLPAR1LPAR4
SCHEMBL16829781 0.80 MGLL (0.57) DGKAMGLLFAAHLPAR1LPAR4
SCHEMBL16829780 0.80 MGLL (0.57) DGKAMGLLFAAHLPAR1LPAR4
SCHEMBL16829784 0.80 MGLL (0.57) DGKAMGLLFAAHLPAR1LPAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152201-A1 EMULSION PRECONCENTRATES CONTAINING CYCLOSPORIN OR A MACROLIDE AMBUEHL MICHAEL 2011-06-23 US disclosed
US-20110086071-A1 Pharmaceutical Compositions Comprising Terbinafine BONNY JEAN-DANIEL 2011-04-14 US disclosed
US-20110071186-A1 ORGANIC COMPOUNDS WONG MICHELLE PIK-HAN 2011-03-24 US disclosed