SCHEMBL28748337

SCHEMBL28748337

CCCCCCCCCCCCCCCC(O)C(N)CCCCCCCN

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.66
SPHK1 Q9NYA1 2/20 0.66
GMNN O75496 1/20 0.66
LMNA P02545 1/20 0.66
POLB P06746 1/20 0.66
THPO P40225 1/20 0.66
MTOR P42345 1/20 0.66
BLM P54132 1/20 0.66
KDM4E B2RXH2 1/20 0.66
TP53 P04637 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
MAPT P10636 1/20 0.66
CETP P11597 1/20 0.66
HTT P42858 1/20 0.66
UBE2N P61088 1/20 0.66
DNM1 Q05193 7/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL27591440 1.00 CYP2D6 (0.66) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL10954492 1.00 CYP2D6 (0.66) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL5274787 0.96 CYP2D6 (0.66) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL10408562 0.96 CYP2D6 (0.66) CYP2D6SPHK1GMNNLMNAPOLB
Hydrochloric Acid SCHEMBL5274824 0.94 CYP2D6 (0.63) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL16859678 0.92 CYP2D6 (0.76) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL16859677 0.92 CYP2D6 (0.76) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL16104483 0.92 CYP2D6 (0.76) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL6118653 0.92 CYP2D6 (0.76) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL6118549 0.92 CYP2D6 (0.76) CYP2D6SPHK1GMNNLMNAPOLB

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
CN-1433478-A Colloidal synthetic vector for gene therapy NOVARTIS AG (CH) 2003-07-30 CN disclosed