SCHEMBL5708156

SCHEMBL5708156

C=CC(=O)OC(C(=O)C=C)(C(=O)C=C)C(CO)(COCC(CO)(CO)CO)C(O)(C(=O)C=C)C(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
THRB P10828 1/20 0.33

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
Phosphoric Acid SCHEMBL28460922 0.95 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Aminobenzoic Acid SCHEMBL7730847 0.85 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Anthranilic Acid SCHEMBL7728643 0.84 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
3-Aminobenzoic Acid SCHEMBL7728795 0.82 PBRM1 (0.30)
SCHEMBL27902666 0.77 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Aminobenzoic Acid SCHEMBL7730844 0.72 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Anthranilic Acid SCHEMBL7728640 0.71 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL9632073 0.70 ALDH1A1 (0.57) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL8361883 0.70 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL29356945 0.69 ALDH1A1 (0.85) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1396253-B1 Polymeric dental sheet IVOCLAR VIVADENT AG (LI) 2006-11-02 EP disclosed
US-20040057909-A1 Dental polymer film IVOCLAR VIVADENT AG 2004-03-25 US disclosed
EP-1396253-A1 Polymeric dental sheet Ivoclar Vivadent AG (LI) 2004-03-10 EP disclosed