SCHEMBL25802199

SCHEMBL25802199

CCOC(=O)C(C)(C)OCCCCCOCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.58
CYP4A11 Q02928 1/20 0.58
L3MBTL1 Q9Y468 6/20 0.49
MMP8 P22894 3/20 0.45
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 3/20 0.42
RECQL P46063 1/20 0.42
EPHX2 P34913 1/20 0.41
PIN1 Q13526 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP3 P08254 2/20 0.40
MMP9 P14780 2/20 0.40
MMP1 P03956 1/20 0.40
NAAA Q02083 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL19434520 0.89 CYP4F2 (0.50) CYP4F2CYP4A11L3MBTL1MMP8PPARA
SCHEMBL25802208 0.85 L3MBTL1 (0.54) CYP4F2CYP4A11L3MBTL1MMP8PPARA
SCHEMBL30533340 0.84 CYP4F2 (0.52) CYP4F2CYP4A11L3MBTL1MMP8TDP1
SCHEMBL22071031 0.84 CYP4F2 (0.52) CYP4F2CYP4A11L3MBTL1MMP8TDP1
SCHEMBL850989 0.84 MMP8 (0.51) L3MBTL1MMP8TDP1ALDH1A1RECQL
SCHEMBL879888 0.84 MMP8 (0.51) L3MBTL1MMP8TDP1ALDH1A1RECQL
SCHEMBL30533338 0.84 CYP4F2 (0.52) CYP4F2CYP4A11L3MBTL1MMP8TDP1
SCHEMBL8609385 0.83 L3MBTL1 (0.47) L3MBTL1MMP8TDP1ALDH1A1RECQL
SCHEMBL17746742 0.83 CYP4F2 (0.50) CYP4F2CYP4A11L3MBTL1MMP8TDP1
SCHEMBL22087971 0.81 MMP8 (0.53) L3MBTL1MMP8TDP1ALDH1A1RECQL

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-2023125738-A1 LIPID AND COMPOSITION USED FOR DELIVERY 江苏恒瑞医药股份有限公司 2023-07-06 WO disclosed