SCHEMBL3427754

SCHEMBL3427754

CCCCCCC=CCCCCC(=O)NCCCN(C)C

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.82
EPHX2 P34913 2/20 0.69
CNR1 P21554 4/20 0.68
ALDH1A1 P00352 2/20 0.68
HPGD P15428 2/20 0.68
SLC6A5 Q9Y345 2/20 0.68
TRPV1 Q8NER1 1/20 0.68
MEN1 O00255 1/20 0.68
MAPT P10636 1/20 0.68
ALOX12 P18054 1/20 0.68
BLM P54132 1/20 0.68
KMT2A Q03164 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
KDM4E B2RXH2 1/20 0.64
LPAR1 Q92633 1/20 0.64

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
SCHEMBL6417641 1.00 DNM1 (0.82) DNM1EPHX2CNR1ALDH1A1HPGD
SCHEMBL75309 1.00 DNM1 (0.82) DNM1EPHX2CNR1ALDH1A1HPGD
SCHEMBL14060400 1.00 DNM1 (0.82) DNM1EPHX2CNR1ALDH1A1HPGD
SCHEMBL4622859 1.00 DNM1 (0.82) DNM1EPHX2CNR1ALDH1A1HPGD
SCHEMBL6127761 1.00 DNM1 (0.82) DNM1EPHX2CNR1ALDH1A1HPGD
SCHEMBL25134837 1.00 DNM1 (0.82) DNM1EPHX2CNR1ALDH1A1HPGD
SCHEMBL9505196 1.00 DNM1 (0.82) DNM1EPHX2CNR1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL1195199 0.99 DNM1 (0.80) DNM1EPHX2CNR1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL30468934 0.99 DNM1 (0.80) DNM1EPHX2CNR1ALDH1A1HPGD
SCHEMBL19479159 0.97 DNM1 (0.77) DNM1EPHX2CNR1ALDH1A1HPGD

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-2249780-A2 CATIONIC SURFACTANT COMPOUNDS, USE THEREOF AS CONDITIONER, COSMETIC TREATMENT METHOD, AND COSMETIC OR PHARMACEUTICAL COMPOSITIONS COMPRISING SAME L'Oréal (FR) 2010-11-17 EP disclosed
WO-2009101321-A2 CATIONIC SURFACTANT COMPOUNDS, USE THEREOF AS CONDITIONER, COSMETIC TREATMENT METHOD, AND COSMETIC OR PHARMACEUTICAL COMPOSITIONS COMPRISING SAME L'OREAL (FR) 2009-08-20 WO disclosed