SCHEMBL13743013

SCHEMBL13743013

C[N+](C)(C)CCCNC(=O)CCCC/C=C/CCCCCC[C@H]1C=CCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 1/20 0.42
EPHX2 P34913 2/20 0.42
CNR1 P21554 4/20 0.41
HPGD P15428 2/20 0.41
SLC6A5 Q9Y345 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
LPAR1 Q92633 1/20 0.40

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
SCHEMBL6525718 0.93 ALDH1A1 (0.51) ALDH1A1TDP1USP2ALOX15KDM4E
SCHEMBL13743426 0.93 ALDH1A1 (0.51) ALDH1A1TDP1USP2ALOX15KDM4E
SCHEMBL12847941 0.85 DNM1 (0.48) ALDH1A1TDP1USP2ALOX15KDM4E
SCHEMBL6524118 0.85 DNM1 (0.48) ALDH1A1TDP1USP2ALOX15KDM4E
SCHEMBL10072334 0.81 EPHX2 (0.59) ALDH1A1TDP1KDM4EEPHX2CNR1
SCHEMBL3400533 0.80 ALDH1A1 (0.60) ALDH1A1TDP1USP2ALOX15CNR1
SCHEMBL3400540 0.80 ALDH1A1 (0.60) ALDH1A1TDP1USP2ALOX15CNR1
SCHEMBL12847938 0.77 DNM1 (0.55) ALDH1A1TDP1USP2ALOX15MAPT
SCHEMBL12847942 0.77 DNM1 (0.55) ALDH1A1TDP1USP2ALOX15MAPT
SCHEMBL29136186 0.77 ALDH1A1 (0.64) ALDH1A1TDP1USP2ALOX15EPHX2

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
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