SCHEMBL21669769

SCHEMBL21669769

C=C(C)C(=O)OCCCNC(=O)CCCCCCCn1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL21669762 1.00 TBXAS1 (0.51) TBXAS1SMN1; SMN2LMNAGAAL3MBTL1
SCHEMBL21669764 1.00 TBXAS1 (0.51) TBXAS1SMN1; SMN2LMNAGAAL3MBTL1
SCHEMBL21669742 1.00 TBXAS1 (0.51) TBXAS1SMN1; SMN2LMNAGAAL3MBTL1
SCHEMBL21669760 1.00 TBXAS1 (0.51) TBXAS1SMN1; SMN2LMNAGAAL3MBTL1
SCHEMBL21669758 0.99 SMN1; SMN2 (0.50) TBXAS1SMN1; SMN2LMNAGAAL3MBTL1
SCHEMBL2600106 0.86 SMN1; SMN2 (0.48) SMN1; SMN2LMNAGAAL3MBTL1PKM
SCHEMBL27241501 0.86 TBXAS1 (0.56) TBXAS1LMNATSHRMAPK1
SCHEMBL21669740 0.85 TBXAS1 (0.54) TBXAS1SMN1; SMN2LMNAGAAL3MBTL1
SCHEMBL21669744 0.85 TBXAS1 (0.54) TBXAS1SMN1; SMN2LMNAGAAL3MBTL1
SCHEMBL21669751 0.85 TBXAS1 (0.54) TBXAS1SMN1; SMN2LMNAGAAL3MBTL1

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-3077476-B1 NANOCRYSTALS COMPLEXED WITH FUNCTIONALIZABLE ENHANCED AFFINITY LIGANDS AND USE THEREOF NEXDOT (FR) 2020-02-12 EP disclosed