SCHEMBL601651

SCHEMBL601651

CC1(C)OB(c2ccc(N3CCC(CC(=O)O)CC3)cc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 14/20 0.47
FFAR1 O14842 1/20 0.41
LIPG Q9Y5X9 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
DGAT1 O75907 1/20 0.40
LPL P06858 1/20 0.39
USP2 O75604 1/20 0.39
P4HB P07237 1/20 0.38

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
SCHEMBL23538213 0.87 DEGS1 (0.40) FFAR4LIPGDGAT1LPL
SCHEMBL23551417 0.85 MAPT (0.42) LIPGITGB3ITGA2BDGAT1LPL
SCHEMBL2053569 0.84 LIPG (0.41) LIPGLPLUSP2
SCHEMBL24847168 0.82 LPL (0.39) FFAR1LIPGLPL
SCHEMBL31341877 0.81 LPL (0.40) LIPGLPL
SCHEMBL14862313 0.80 LPL (0.42) LIPGLPLUSP2P4HB
SCHEMBL2255428 0.80 HIF1A (0.46) LIPGDGAT1
SCHEMBL22636528 0.80 S1PR1 (0.50) LIPGITGB3ITGA2BLPLUSP2
SCHEMBL2255432 0.80 HIF1A (0.46) LIPGDGAT1
SCHEMBL24681610 0.78 LPL (0.46) LIPGLPL

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-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 WO disclosed