SCHEMBL22306325

SCHEMBL22306325

CCC(CC)OCc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 12/20 0.57
LPL P06858 11/20 0.57
DGAT1 O75907 1/20 0.39
TDP2 O95551 1/20 0.35
ESR2 Q92731 1/20 0.35
F11 P03951 1/20 0.34
HIF1A Q16665 1/20 0.33
ANPEP P15144 1/20 0.33
LAP3 P28838 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL19464245 0.86 LIPG (0.56) LIPGLPLDGAT1TDP2ESR2
SCHEMBL19464259 0.81 LIPG (0.61) LIPGLPLDGAT1TDP2ESR2
SCHEMBL1744642 0.81 LIPG (0.60) LIPGLPLDGAT1TDP2ESR2
SCHEMBL14750157 0.80 LIPG (0.50) LIPGLPLDGAT1TDP2ESR2
SCHEMBL13703570 0.80 LIPG (0.58) LIPGLPLDGAT1TDP2ESR2
SCHEMBL28693280 0.80 LIPG (0.58) LIPGLPLDGAT1TDP2ESR2
SCHEMBL20768149 0.79 LIPG (0.62) LIPGLPLDGAT1TDP2F11
SCHEMBL18332737 0.79 LIPG (0.69) LIPGLPLDGAT1ESR2F11
SCHEMBL12215735 0.76 LIPG (0.80) LIPGLPLDGAT1ESR2F11
SCHEMBL30477495 0.76 LIPG (0.80) LIPGLPLDGAT1ESR2F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed