SCHEMBL17034272

SCHEMBL17034272

C=CC(=O)OCCCCCNC(=O)OCc1cccc(OCC(O)COC(=O)NCCCCCOC(=O)C=C)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 3/20 0.48
▸ HTT P42858 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ P2RY10 O00398 2/20 0.35
▸ GPR174 Q9BXC1 2/20 0.35
▸ GPR34 Q9UPC5 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
SCHEMBL17034359 0.98 TGM2 (0.46) TGM2HTTTHRBALDH1A1CYP3A4
SCHEMBL17034300 0.96 TGM2 (0.45) TGM2HTTTHRBLMNASMN1; SMN2
SCHEMBL17034350 0.94 TGM2 (0.43) TGM2HTTTHRBLMNASMN1; SMN2
SCHEMBL17034292 0.92 LMNA (0.42) TGM2HTTTHRBLMNASMN1; SMN2
SCHEMBL17034357 0.90 THRB (0.40) TGM2HTTTHRBLMNASMN1; SMN2
SCHEMBL17034219 0.86 TGM2 (0.51) TGM2HTTTHRB
SCHEMBL17034293 0.86 TGM2 (0.41) TGM2HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL17034335 0.84 HTT (0.40) TGM2HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL17034132 0.83 TGM2 (0.47) TGM2THRB
SCHEMBL17034209 0.82 THRB (0.40) TGM2THRBALDH1A1CYP3A4TSHR

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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