SCHEMBL3399219

SCHEMBL3399219

O=C(O)CC(Cl)C(=O)OC(=O)/C=C\C(=O)OC(=O)C(Cl)CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1648718 0.84 SLC22A6 (0.39) SLC22A6TDP1SMN1; SMN2
SCHEMBL5081389 0.77 SMN1; SMN2 (0.46) HCAR2SLC22A6TDP1SMN1; SMN2
SCHEMBL8307598 0.74 ALDH1A1 (0.41) HCAR2SLC22A6TDP1SMN1; SMN2
SCHEMBL5915068 0.73 SLC22A6 (0.38) SLC22A6TDP1SMN1; SMN2
SCHEMBL1480202 0.71 KMT2A (0.37) SLC22A6TDP1SMN1; SMN2
SCHEMBL27476095 0.71 SLC22A6 (0.36) SLC22A6TDP1SMN1; SMN2
SCHEMBL6057628 0.71 KMT2A (0.37) SLC22A6TDP1SMN1; SMN2
SCHEMBL5246516 0.71 SLC22A6 (0.32) SLC22A6TDP1SMN1; SMN2
Maleic Acid SCHEMBL3399215 0.67 TSHR (0.43) HCAR2SLC22A6TDP1SMN1; SMN2
Fumaric Acid SCHEMBL3399221 0.67 TSHR (0.43) HCAR2SLC22A6TDP1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2174909-A1 Composition comprising a layered double hydroxide Akzo Nobel N.V. (NL) 2010-04-14 EP disclosed