SCHEMBL6674518

SCHEMBL6674518

CC(C)(CO)CNC(=O)C(C)(C)CO

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
RIPK1 Q13546 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
CNR2 P34972 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL19422817 0.85 KDM4E (0.33) SMN1; SMN2HSD17B10ALDH1A1HTT
SCHEMBL9499958 0.85 KDM4E (0.38) SMN1; SMN2HSD17B10
SCHEMBL14472418 0.84 SMN1; SMN2 (0.36) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1
Oxalic Acid SCHEMBL9795145 0.81 KDM4E (0.38) SMN1; SMN2HSD17B10RIPK1
SCHEMBL9497704 0.80 CFTR (0.31) RIPK1
SCHEMBL2746180 0.80 SMN1; SMN2 (0.34) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL9682352 0.78 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL11256982 0.78 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL5541678 0.77 SMN1; SMN2 (0.32) SMN1; SMN2HSD17B10ALDH1A1HTT
SCHEMBL13290400 0.76 KDM4E (0.39) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1

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-2004037159-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING FAT METABOLISM OBETHERAPY BIOTECHNOLOGY (FR) 2004-05-06 WO disclosed