SCHEMBL5483565

SCHEMBL5483565

CCN(CC)C(COCCN)OCCN

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31

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
SCHEMBL8387200 0.81
SCHEMBL9702134 0.71 ALDH1A1 (0.43)
SCHEMBL13381787 0.67 TDP1 (0.43) CYP3A4
SCHEMBL10099855 0.67 TDP1 (0.43) CYP3A4
SCHEMBL28933423 0.67 CYP3A4 (0.32) CYP3A4
SCHEMBL29908265 0.66 TLR2 (0.34) CYP3A4
SCHEMBL19566343 0.66 CYP3A4 (0.38) CYP3A4
SCHEMBL3208469 0.66 CYP3A4 (0.34) CYP3A4
SCHEMBL940665 0.66
SCHEMBL25723519 0.64 TLR2 (0.33) CYP3A4

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-1808183-A2 Chemically-defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-07-18 EP disclosed
EP-0642798-A2 Chemically-defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY (CA) 1995-03-15 EP disclosed