SCHEMBL13896202

SCHEMBL13896202

CCC(CCCOCCCN)OCCCN

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
DNM1 Q05193 1/20 0.38
TLR2 O60603 6/20 0.37
ODC1 P11926 1/20 0.31
LPAR1 Q92633 4/20 0.30
LPAR3 Q9UBY5 4/20 0.30
LPAR2 Q9HBW0 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
SCHEMBL11291019 0.92 CYP3A4 (0.46) CYP3A4DNM1TLR2ODC1LPAR1
SCHEMBL30340413 0.86 CYP3A4 (0.52) CYP3A4DNM1TLR2
SCHEMBL4640889 0.85 DNM1 (0.42) CYP3A4DNM1TLR2ODC1
SCHEMBL4117174 0.84 DNM1 (0.52) CYP3A4DNM1TLR2
SCHEMBL23270372 0.82 DNM1 (0.37) CYP3A4DNM1TLR2ODC1
SCHEMBL23270387 0.82 DNM1 (0.55) CYP3A4DNM1TLR2
SCHEMBL6914579 0.82 CYP3A4 (0.56) CYP3A4DNM1TLR2LPAR1LPAR3
SCHEMBL23270361 0.81 DNM1 (0.40) CYP3A4DNM1TLR2
SCHEMBL23270389 0.81 DNM1 (0.40) CYP3A4DNM1TLR2
SCHEMBL19456255 0.79 DNM1 (0.41) CYP3A4DNM1TLR2

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-2373613-B1 LINEAR AMINE FUNCTIONALIZED POLY(TRIMETHYLENE ETHER) COMPOSITIONS DU PONT (US) 2012-11-21 EP disclosed