SCHEMBL17034359

SCHEMBL17034359

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 3/20 0.46
▸ THRB P10828 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ P2RY10 O00398 3/20 0.35
▸ GPR174 Q9BXC1 3/20 0.35
▸ GPR34 Q9UPC5 1/20 0.35
▸ POLB P06746 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
SCHEMBL17034272 0.98 TGM2 (0.48) TGM2THRBALDH1A1CYP3A4TSHR
SCHEMBL17034350 0.96 TGM2 (0.43) TGM2THRBALDH1A1HTT
SCHEMBL17034300 0.94 TGM2 (0.45) TGM2THRBALDH1A1HTT
SCHEMBL17034357 0.92 THRB (0.40) TGM2THRBTSHRHTT
SCHEMBL17034292 0.90 LMNA (0.42) TGM2THRBTSHRHTT
SCHEMBL17034132 0.85 TGM2 (0.47) TGM2THRB
SCHEMBL17034219 0.84 TGM2 (0.51) TGM2THRBHTT
SCHEMBL17034335 0.84 HTT (0.40) TGM2HTTP2RY10GPR174GPR34
SCHEMBL17034293 0.84 TGM2 (0.41) TGM2HTTP2RY10GPR174GPR34
SCHEMBL17036959 0.84 THRB (0.43) THRBTSHR

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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