SCHEMBL29945244

SCHEMBL29945244

O=C(CCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O.[Na]

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.34
PSMB8 P28062 2/20 0.33
PSMB5 P28074 1/20 0.33
ALOX12 P18054 1/20 0.33
PARL Q9H300 1/20 0.32
MGLL Q99685 2/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL34383 0.98 SMN1; SMN2 (0.36) SMN1; SMN2KMT2ATSHRPSMB8PSMB5
SCHEMBL22777675 0.98 SMN1; SMN2 (0.36) SMN1; SMN2KMT2ATSHRPSMB8PSMB5
SCHEMBL29412472 0.94 SMN1; SMN2 (0.41) SMN1; SMN2KMT2APSMB8PSMB5ALOX12
SCHEMBL290461 0.94 SMN1; SMN2 (0.40) SMN1; SMN2KMT2APSMB8PSMB5ALOX12
Ethylene Glycol SCHEMBL6523939 0.92 PSMB8 (0.34) SMN1; SMN2KMT2ATSHRPSMB8PSMB5
SCHEMBL905722 0.92 SMN1; SMN2 (0.42) SMN1; SMN2KMT2APSMB8PSMB5ALOX12
SCHEMBL1870550 0.92 SMN1; SMN2 (0.42) SMN1; SMN2KMT2APSMB8PSMB5ALOX12
SCHEMBL905404 0.92 SMN1; SMN2 (0.42) SMN1; SMN2KMT2APSMB8PSMB5ALOX12
SCHEMBL4960230 0.92 SMN1; SMN2 (0.42) SMN1; SMN2KMT2APSMB8PSMB5ALOX12
SCHEMBL905700 0.92 SMN1; SMN2 (0.42) SMN1; SMN2KMT2APSMB8PSMB5ALOX12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109824565-B Light-responsive multifunctional chemical cross-linking agent and preparation method and application thereof 华东理工大学 2022-10-25 CN claimed
CN-109824565-B Light-responsive multifunctional chemical cross-linking agent and preparation method and application thereof 华东理工大学 2022-10-25 CN disclosed