SCHEMBL5284728

SCHEMBL5284728

CCCCCCCCCCCCCCCCCCC[n+]1ccc(C)c(C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.66
MEN1 O00255 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 1/20 0.62
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 1/20 0.60
LMNA P02545 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CHRNA7 P36544 2/20 0.59
CHRNA10 Q9GZZ6 2/20 0.59
CHRNA9 Q9UGM1 2/20 0.59
ABCB11 O95342 1/20 0.53
ESR1 P03372 1/20 0.53
PGR P06401 1/20 0.53

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
SCHEMBL5296069 1.00 HTT (0.66) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL5286007 1.00 HTT (0.66) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL5297155 1.00 HTT (0.66) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL5303507 1.00 HTT (0.66) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL5297047 1.00 HTT (0.66) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL5296041 1.00 HTT (0.66) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL5293989 1.00 HTT (0.66) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL5296318 1.00 HTT (0.66) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL5297228 1.00 HTT (0.66) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL5283392 1.00 HTT (0.66) HTTMEN1TP53CYP1A2CYP2D6

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