SCHEMBL21669758

SCHEMBL21669758

C=C(C)C(=O)OCCCNC(=O)CCCCn1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.50
TBXAS1 P24557 5/20 0.49
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
PKM P14618 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
IDE P14735 1/20 0.45
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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 0.99 TBXAS1 (0.51) SMN1; SMN2LMNATBXAS1GAAL3MBTL1
SCHEMBL21669742 0.99 TBXAS1 (0.51) SMN1; SMN2LMNATBXAS1GAAL3MBTL1
SCHEMBL21669764 0.99 TBXAS1 (0.51) SMN1; SMN2LMNATBXAS1GAAL3MBTL1
SCHEMBL21669769 0.99 TBXAS1 (0.51) SMN1; SMN2LMNATBXAS1GAAL3MBTL1
SCHEMBL21669760 0.99 TBXAS1 (0.51) SMN1; SMN2LMNATBXAS1GAAL3MBTL1
SCHEMBL2600106 0.87 SMN1; SMN2 (0.48) SMN1; SMN2LMNAGAAL3MBTL1PKM
SCHEMBL10015771 0.85 TBXAS1 (0.54) LMNATBXAS1TSHRMEN1KMT2A
SCHEMBL21669765 0.85 TBXAS1 (0.52) SMN1; SMN2LMNATBXAS1GAAL3MBTL1
SCHEMBL27241501 0.84 TBXAS1 (0.56) LMNATBXAS1TSHRMAPK1MEN1
SCHEMBL10015764 0.84 TBXAS1 (0.51) TBXAS1TSHRMEN1KMT2A

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