SCHEMBL4018632

SCHEMBL4018632

CCCCCCCC/C=C\CCCCCCCCCC(C)OCCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
LPAR2 Q9HBW0 2/20 0.46
LPAR3 Q9UBY5 2/20 0.46
LPAR1 Q92633 1/20 0.46
FAAH O00519 2/20 0.44
TRPV1 Q8NER1 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
SCHEMBL1142329 0.96 ALDH1A1 (0.47) ALDH1A1CNR1CNR2LPAR2LPAR3
SCHEMBL1142603 0.96 ALDH1A1 (0.47) ALDH1A1CNR1CNR2LPAR2LPAR3
SCHEMBL1142548 0.96 ALDH1A1 (0.47) ALDH1A1CNR1CNR2LPAR2LPAR3
SCHEMBL1142741 0.93 ALDH1A1 (0.44) ALDH1A1CNR1CNR2LPAR2LPAR3
SCHEMBL1142829 0.93 FAAH (0.44) ALDH1A1CNR1CNR2LPAR2LPAR3
SCHEMBL1142291 0.93 FAAH (0.44) ALDH1A1CNR1CNR2LPAR2LPAR3
SCHEMBL1142899 0.93 FAAH (0.44) ALDH1A1CNR1CNR2LPAR2LPAR3
SCHEMBL12654817 0.91 ALDH1A1 (0.55) ALDH1A1CNR1CNR2
SCHEMBL18545869 0.89 ALDH1A1 (0.54) ALDH1A1CNR1CNR2
SCHEMBL1142378 0.89 LPAR2 (0.42) ALDH1A1CNR1CNR2LPAR2LPAR3

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
EP-2059257-A2 USE OF GLYCOLIPIDS AS ADJUVANTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2009-05-20 EP disclosed
WO-2008028667-A2 USE OF GLYCOLIPIDS AS ADJUVANTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2008-03-13 WO disclosed