SCHEMBL17034350

SCHEMBL17034350

C=CC(=O)OCCCNC(=O)OCC(O)COc1cccc(COC(=O)C=C)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 3/20 0.43
▸ THRB P10828 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HRH2 P25021 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL17034300 0.98 TGM2 (0.45) TGM2THRBL3MBTL1LMNAALDH1A1
SCHEMBL17034359 0.96 TGM2 (0.46) TGM2THRBALDH1A1HTT
SCHEMBL17034272 0.94 TGM2 (0.48) TGM2THRBL3MBTL1LMNAALDH1A1
SCHEMBL17034357 0.94 THRB (0.40) TGM2THRBL3MBTL1LMNAMAPT
SCHEMBL17034292 0.92 LMNA (0.42) TGM2THRBL3MBTL1LMNAMAPT
SCHEMBL17036959 0.85 THRB (0.43) THRBL3MBTL1SMN1; SMN2
SCHEMBL17034347 0.85 THRB (0.45) TGM2THRBL3MBTL1MAPT
SCHEMBL17034270 0.84 TGM2 (0.47) TGM2THRBL3MBTL1MAPTHTT
SCHEMBL17034351 0.83 L3MBTL1 (0.39) L3MBTL1LMNAALDH1A1MAPTHTT
SCHEMBL17034278 0.83 L3MBTL1 (0.41) TGM2L3MBTL1LMNAALDH1A1MAPT

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-2015126666-A1 DENTAL COMPOSITION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-08-27 — — WO disclosed
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