SCHEMBL9052829

SCHEMBL9052829

CCOC(=O)C(CC)(CC)C(=O)OCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 4/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
PKM P14618 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL888583 0.94 TSHR (0.43) MMP8MEN1KMT2AL3MBTL1TSHR
SCHEMBL10358539 0.91 MMP8 (0.47) MMP8MEN1KMT2AL3MBTL1TSHR
SCHEMBL29008752 0.88 TSHR (0.39) MMP8MEN1KMT2AL3MBTL1TSHR
SCHEMBL1244565 0.85 MEN1 (0.54) MMP8MEN1KMT2AL3MBTL1TSHR
SCHEMBL5526857 0.84 TSHR (0.39) MMP8MEN1KMT2AL3MBTL1TSHR
SCHEMBL23091475 0.83 MEN1 (0.52) MMP8MEN1KMT2AL3MBTL1TSHR
SCHEMBL27889245 0.83 MEN1 (0.52) MMP8MEN1KMT2AL3MBTL1TSHR
Ammonia Solution, Strong SCHEMBL29049233 0.83 MEN1 (0.52) MMP8MEN1KMT2AL3MBTL1TSHR
Iodide SCHEMBL10533617 0.83 MEN1 (0.52) MMP8MEN1KMT2AL3MBTL1TSHR
SCHEMBL9052824 0.82 MMP8 (0.53) MMP8MEN1KMT2AL3MBTL1TSHR

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-1996001806-A1 GLYCINAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS UTILIZING THE SAME YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1996-01-25 WO disclosed