SCHEMBL14047006

SCHEMBL14047006

COC(=O)[C@@H](C)Cc1ccccc1C[C@H](C)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.40
STAT3 P40763 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CTSL P07711 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL15291974 0.91 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10GAASTAT3ALDH1A1
SCHEMBL14092186 0.84 HSD17B10 (0.44) SMN1; SMN2HSD17B10GAASTAT3ALDH1A1
SCHEMBL16213017 0.82 STAT3 (0.46) SMN1; SMN2HSD17B10GAASTAT3ALDH1A1
SCHEMBL16213013 0.82 STAT3 (0.46) SMN1; SMN2HSD17B10GAASTAT3ALDH1A1
SCHEMBL16213015 0.82 STAT3 (0.46) SMN1; SMN2HSD17B10GAASTAT3ALDH1A1
SCHEMBL15372144 0.78 ALDH1A1 (0.37) SMN1; SMN2HSD17B10GAASTAT3ALDH1A1
SCHEMBL750738 0.77 ALDH1A1 (0.44) SMN1; SMN2HSD17B10GAAALDH1A1DHODH
SCHEMBL10203187 0.76 GAA (0.50) GAAALDH1A1CTSLATML3MBTL1
SCHEMBL2176311 0.75 GAA (0.45) SMN1; SMN2GAASTAT3ALDH1A1MEN1
SCHEMBL25170169 0.75 STAT3 (0.44) GAASTAT3ALDH1A1MEN1KMT2A

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-2008130464-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA, INC. (US) 2008-10-30 WO disclosed