SCHEMBL26201849

SCHEMBL26201849

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
CNR1 P21554 5/20 0.35
CNR2 P34972 5/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
DRD3 P35462 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL25030878 1.00 EPHX2 (0.36) EPHX2CNR1CNR2MAPTSMN1; SMN2
SCHEMBL26062908 0.89 RXFP1 (0.33) EPHX2CNR1CNR2MAPTSMN1; SMN2
SCHEMBL26201850 0.88 EPHX2 (0.39) EPHX2CNR1CNR2MAPTSMN1; SMN2
SCHEMBL25029638 0.88 MME (0.40) CNR1CNR2MAPTSMN1; SMN2NPC1
SCHEMBL25030412 0.88 EPHX2 (0.36) EPHX2CNR1CNR2MAPTSMN1; SMN2
SCHEMBL25028347 0.86 POLB (0.32) EPHX2CNR1CNR2MAPTSMN1; SMN2
SCHEMBL25030380 0.85 DRD2 (0.33) CNR1CNR2MAPTSMN1; SMN2SMYD3
SCHEMBL25029992 0.85 DRD2 (0.33) CNR1CNR2MAPTSMN1; SMN2SMYD3
SCHEMBL25029513 0.85 DRD2 (0.33) CNR1CNR2MAPTSMN1; SMN2SMYD3
SCHEMBL26201902 0.84 CNR2 (0.44) CNR1CNR2MAPT

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