SCHEMBL6521907

SCHEMBL6521907

CC(N)Cc1ccc(OCCCCCC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.57
ITGA2B P08514 4/20 0.57
FFAR1 O14842 2/20 0.54
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PPARA Q07869 2/20 0.51
PLA2G4B P0C869 1/20 0.50
S1PR4 O95977 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
ALB P02768 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
SCHEMBL6682905 1.00 ITGB3 (0.57) ITGB3ITGA2BFFAR1LMNAL3MBTL1
SCHEMBL6521903 1.00 ITGB3 (0.57) ITGB3ITGA2BFFAR1LMNAL3MBTL1
SCHEMBL10207300 0.88 FFAR1 (0.56) ITGB3ITGA2BFFAR1LMNAL3MBTL1
SCHEMBL10290141 0.88 FFAR1 (0.56) ITGB3ITGA2BFFAR1LMNAL3MBTL1
SCHEMBL10289792 0.87 FFAR1 (0.57) ITGB3ITGA2BFFAR1LMNAL3MBTL1
SCHEMBL10772813 0.86 SLC6A4 (0.63) ITGB3ITGA2B
SCHEMBL10774512 0.86 SLC6A4 (0.63) ITGB3ITGA2B
SCHEMBL10771733 0.86 SLC6A4 (0.63) ITGB3ITGA2B
SCHEMBL13018306 0.83 FFAR1 (0.51) ITGB3ITGA2BFFAR1LMNAL3MBTL1
SCHEMBL13311946 0.83 FFAR1 (0.51) ITGB3ITGA2BFFAR1LMNAL3MBTL1

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-20050013809-A1 Antibodies against drugs of abuse BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2005-01-20 US disclosed
WO-2004050032-A2 ANTIBODIES AGAINST DRUGS OF ABUSE ABGENIX, INC. (US) 2004-06-17 WO disclosed