SCHEMBL7634702

SCHEMBL7634702

O=C(OCCC(COC(=O)OOC(=O)c1ccccc1-c1ccccc1)C(COC(=O)OOC(=O)c1ccccc1-c1ccccc1)C(CCOC(=O)OOC(=O)c1ccccc1-c1ccccc1)COC(=O)OOC(=O)c1ccccc1-c1ccccc1)OOC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 5/20 0.43
SCN2A Q99250 5/20 0.43
SCN3A Q9NY46 5/20 0.43
CHRNB2 P17787 9/20 0.40
CHRNA4 P43681 9/20 0.40
CHRNB4 P30926 8/20 0.40
CHRNA3 P32297 8/20 0.40
LMNA P02545 1/20 0.37
BCAT2 O15382 1/20 0.36
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL7625532 0.98 SCN1A (0.43) SCN1ASCN2ASCN3ACHRNB2CHRNA4
SCHEMBL7629579 0.94 SCN1A (0.45) SCN1ASCN2ASCN3ACHRNB2CHRNA4
SCHEMBL7629266 0.86 SCN1A (0.45) SCN1ASCN2ASCN3ACHRNB2CHRNA4
SCHEMBL7630959 0.83 ALDH1A1 (0.41) LMNAMEN1KMT2A
SCHEMBL7636205 0.83 ADRB2 (0.41) TSHRMEN1KMT2ASMN1; SMN2SLC6A4
SCHEMBL7634296 0.83 SLC1A5 (0.45) SCN1ASCN2ASCN3ALMNASMN1; SMN2
SCHEMBL7628984 0.82 LMNA (0.47) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL7635732 0.81 HCRTR1 (0.40) LMNATSHRSMN1; SMN2
SCHEMBL7631029 0.81 ALDH1A1 (0.41) LMNAMEN1KMT2A
SCHEMBL7630032 0.81 ADRB2 (0.41) TSHRMEN1KMT2ASMN1; SMN2SLC6A4

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-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed