SCHEMBL7767924

SCHEMBL7767924

C=C(C)C(=O)OCC(COC(=O)c1c(I)c(NC(C)=O)c(I)c(NC(C)=O)c1I)OC(=O)C(=C)C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL17211607 0.82 LMNA (0.46) LMNATSHRSMN1; SMN2
SCHEMBL8933210 0.76 LMNA (0.49) LMNATSHRSMN1; SMN2
SCHEMBL35507 0.75 TSHR (0.63) LMNATSHR
SCHEMBL22168536 0.74 THRB (0.40) LMNATSHRSMN1; SMN2
SCHEMBL8230945 0.74 LMNA (0.53) LMNATSHRSMN1; SMN2
SCHEMBL8667841 0.74 SMN1; SMN2 (0.48) LMNASMN1; SMN2
SCHEMBL23230272 0.73 LMNA (0.38) LMNATSHRSMN1; SMN2
SCHEMBL5693403 0.72 TSHR (0.55) LMNATSHR
SCHEMBL20204440 0.72 THRB (0.40) LMNATSHRSMN1; SMN2
SCHEMBL16803284 0.72 TSHR (0.63) LMNATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685454-B2 X-ray opaque dental materials IVOCLAR VIVADENT AG (LI) 2001-06-27 EP disclosed
US-5780668-A A CURABLE MONOMER OF A (MONO-, DI- OR TRIACRYLOYLOXY-SUBSTITUTED ALKYLENEAMIDO OR OXYCARBONYL-) -TRIODOBENZENES; REPLACES FILLERS IN CROWNS, BRIDGES ETC.; UV RESISTANCE; STABILITY IVOCLAR AG (LI) 1998-07-14 US disclosed
EP-0685454-B1 X-ray opaque dental materials IVOCLAR AG (LI) 1997-10-15 EP disclosed
EP-0685454-A1 X-ray opaque dental materials IVOCLAR AG (LI) 1995-12-06 EP disclosed