SCHEMBL26058739

SCHEMBL26058739

CCOCC(=O)NCCOCCC(=O)N[C@H]1CC[C@@H](C(=O)C(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
POLB P06746 1/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NAMPT P43490 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL25028347 0.89 POLB (0.32) SMYD3POLBCNR1CNR2NPC1
SCHEMBL26201850 0.87 EPHX2 (0.39) SMYD3L3MBTL1DRD2HTR2ADRD3
SCHEMBL26201907 0.86 POLB (0.40) DRD2HTR2ADRD3POLBCNR1
SCHEMBL26062908 0.85 RXFP1 (0.33) SMYD3POLBCNR1CNR2NPC1
SCHEMBL25028605 0.85 CNR1 (0.39) SMYD3DRD2HTR2ADRD3POLB
SCHEMBL25030873 0.85 MEN1 (0.42) SMYD3POLBCNR1CNR2NPC1
SCHEMBL25027795 0.84 KMT2A (0.37) SMYD3POLBCNR1CNR2NPC1
SCHEMBL26201979 0.84 RAB9A (0.36) SMYD3POLBCNR1CNR2NPC1
SCHEMBL26058737 0.83 EPHX2 (0.38) DRD2HTR2ADRD3EPHX2MEN1
SCHEMBL26201903 0.83 CASP2 (0.38) SMYD3CNR1CNR2EPHX2MEN1

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
WO-2023161874-A1 CYTOTOXICITY TARGETING CHIMERAS FOR C-C CHEMOKINE RECEPTOR 2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed