SCHEMBL26201850

SCHEMBL26201850

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
SMYD3 Q9H7B4 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 5/20 0.36
CNR1 P21554 4/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL25029638 0.89 MME (0.40) DRD2HTR2ADRD3CNR2CNR1
SCHEMBL26201849 0.88 EPHX2 (0.36) EPHX2SMYD3DRD2HTR2ADRD3
SCHEMBL26201902 0.88 CNR2 (0.44) CNR2CNR1MAPTMEN1ALDH1A1
SCHEMBL25030878 0.88 EPHX2 (0.36) EPHX2SMYD3DRD2HTR2ADRD3
SCHEMBL25030401 0.87 DRD2 (0.38) SMYD3DRD2HTR2ADRD3L3MBTL1
SCHEMBL26058739 0.87 USP2 (0.35) EPHX2SMYD3DRD2HTR2ADRD3
SCHEMBL25030873 0.85 MEN1 (0.42) SMYD3CNR2CNR1MAPTSMN1; SMN2
SCHEMBL25030411 0.85 SMYD3 (0.42) EPHX2SMYD3DRD2HTR2ADRD3
SCHEMBL26201847 0.85 SMYD3 (0.42) EPHX2SMYD3DRD2HTR2ADRD3
SCHEMBL25030880 0.84 CNR2 (0.39) SMYD3CNR2CNR1MAPTSMN1; 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
WO-2023161877-A1 CYTOTOXICITY TARGETING CHIMERAS FOR INTEGRIN AVB6-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed