SCHEMBL7577706

SCHEMBL7577706

CCCOCCOCCCCCC(N)OCCCCOCCCN

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 7/20 0.41
CYP3A4 P08684 1/20 0.40
HTT P42858 2/20 0.38
DNM1 Q05193 1/20 0.37
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
SPHK2 Q9NRA0 1/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
LPAR2 Q9HBW0 1/20 0.33
USP2 O75604 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
SCHEMBL11023381 0.88 HTT (0.41) TLR2CYP3A4HTTDNM1MEN1
SCHEMBL4433310 0.84 CYP3A4 (0.43) TLR2CYP3A4HTTDNM1MEN1
SCHEMBL7720705 0.82 DNM1 (0.50) TLR2DNM1MEN1KMT2A
SCHEMBL11285048 0.80 HTT (0.47) CYP3A4HTTDNM1MEN1THRB
SCHEMBL12818983 0.79 CYP3A4 (0.46) TLR2CYP3A4HTTUSP2
SCHEMBL17262665 0.79 CYP3A4 (0.46) TLR2CYP3A4HTTUSP2
SCHEMBL237587 0.78 CYP3A4 (0.32) CYP3A4
SCHEMBL11654203 0.78 CYP3A4 (0.43) TLR2CYP3A4HTTDNM1
SCHEMBL715251 0.78 DNM1 (0.52) TLR2CYP3A4HTTDNM1MAPT
SCHEMBL15923219 0.78 DNM1 (0.52) TLR2CYP3A4HTTDNM1MAPT

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-1192113-A1 SIZING COMPOSITION, SIZED GLASS FIBERS AND THEIR USE Bayer Aktiengesellschaft (DE) 2002-04-03 EP disclosed
WO-2000073235-A1 SIZING COMPOSITION, SIZED GLASS FIBERS AND THEIR USE BAYER AKTIENGESELLSCHAFT (DE) 2000-12-07 WO disclosed