SCHEMBL5290184

SCHEMBL5290184

CCCCCCCCCCCCCCCCCCC[N+]1(c2ccccc2)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 2/20 0.35
DNM1 Q05193 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX1 P07099 3/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 1/20 0.34
PKM P14618 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5298935 1.00 NAAA (0.37) NAAASIGMAR1ALDH1A1DNM1CYP1A2
SCHEMBL5298224 1.00 NAAA (0.37) NAAASIGMAR1ALDH1A1DNM1CYP1A2
SCHEMBL5304182 1.00 NAAA (0.37) NAAASIGMAR1ALDH1A1DNM1CYP1A2
SCHEMBL5290907 1.00 NAAA (0.37) NAAASIGMAR1ALDH1A1DNM1CYP1A2
SCHEMBL5294438 1.00 NAAA (0.37) NAAASIGMAR1ALDH1A1DNM1CYP1A2
SCHEMBL5303011 1.00 NAAA (0.37) NAAASIGMAR1ALDH1A1DNM1CYP1A2
SCHEMBL5944599 1.00 NAAA (0.37) NAAASIGMAR1ALDH1A1DNM1CYP1A2
SCHEMBL5305522 1.00 NAAA (0.37) NAAASIGMAR1ALDH1A1DNM1CYP1A2
SCHEMBL5295179 1.00 NAAA (0.37) NAAASIGMAR1ALDH1A1DNM1CYP1A2
SCHEMBL5285721 1.00 NAAA (0.37) NAAASIGMAR1ALDH1A1DNM1CYP1A2

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed