SCHEMBL21048466

SCHEMBL21048466

O=C(OOC(=O)c1ccccc1C(=O)OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MMP9 P14780 3/20 0.50
MMP12 P39900 3/20 0.50
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.49
ADRA1A P35348 1/20 0.46
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
FABP7 O15540 1/20 0.45
FABP5 Q01469 1/20 0.45
PTPRF P10586 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL10707097 0.94 MEN1 (0.57) MEN1KMT2ANPC1RAB9AMMP9
SCHEMBL8607117 0.94 MEN1 (0.57) MEN1KMT2ANPC1RAB9AMMP9
SCHEMBL29372521 0.94 MEN1 (0.57) MEN1KMT2ANPC1RAB9AMMP9
SCHEMBL31069910 0.94 MEN1 (0.57) MEN1KMT2ANPC1RAB9AMMP9
SCHEMBL19668120 0.94 MEN1 (0.57) MEN1KMT2ANPC1RAB9AMMP9
SCHEMBL29302 0.94 MEN1 (0.57) MEN1KMT2ANPC1RAB9AMMP9
SCHEMBL3361977 0.93 MEN1 (0.55) MEN1KMT2ANPC1RAB9AMMP9
SCHEMBL23275566 0.89 MMP9 (0.53) MEN1KMT2ANPC1RAB9AMMP9
SCHEMBL29377552 0.88 MEN1 (0.52) MEN1KMT2ANPC1RAB9AMMP9
SCHEMBL109766 0.88 MEN1 (0.52) MEN1KMT2ANPC1RAB9AMMP9

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
EP-1613672-B1 DOSING OF PEROXIDE TO A SUSPENSION PROCESS WHEREIN STYRENE IS POLYMERIZED AKZO NOBEL CHEMICALS INT BV (NL) 2019-06-12 EP disclosed
EP-1613672-B1 DOSING OF PEROXIDE TO A SUSPENSION PROCESS WHEREIN STYRENE IS POLYMERIZED AKZO NOBEL CHEMICALS INT BV (NL) 2019-06-12 EP disclosed