SCHEMBL8037083

SCHEMBL8037083

CCCCCOC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
PMP22 Q01453 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
NAAA Q02083 1/20 0.52
EYA2 O00167 1/20 0.48
APP P05067 1/20 0.48

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
SCHEMBL14002476 0.98 NAAA (0.55) BLMTDP1PMP22KDM4ELMNA
SCHEMBL9170916 0.98 NAAA (0.55) BLMTDP1PMP22KDM4ELMNA
SCHEMBL14439757 0.98 NAAA (0.55) BLMTDP1PMP22KDM4ELMNA
SCHEMBL2026919 0.98 NAAA (0.55) BLMTDP1PMP22KDM4ELMNA
SCHEMBL3419076 0.95 NAAA (0.47) BLMTDP1PMP22KDM4ELMNA
SCHEMBL9796314 0.95 TDP1 (0.54) BLMTDP1PMP22KDM4ELMNA
Ether SCHEMBL8133792 0.92 NAAA (0.49) BLMTDP1PMP22KDM4ELMNA
SCHEMBL12191710 0.91 NAAA (0.62) LMNATSHRNAAAFAAHRAD52
SCHEMBL338271 0.91 NAAA (0.62) LMNATSHRNAAAFAAHRAD52
Ethylene Glycol SCHEMBL9452534 0.90 TDP1 (0.48) BLMTDP1PMP22KDM4ELMNA

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-0986628-A1 BAR COMPOSITIONS COMPRISING NOVEL CHELATING SURFACTANTS AND RELATED PROCESS FOR MANUFACTURE OF SUCH BARS UNILEVER PLC (GB) 2000-03-22 EP disclosed
WO-1998055571-A1 BAR COMPOSITIONS COMPRISING NOVEL CHELATING SURFACTANTS AND RELATED PROCESS FOR MANUFACTURE OF SUCH BARS UNILEVER PLC (GB) 1998-12-10 WO disclosed