SCHEMBL12876177

SCHEMBL12876177

CC[N+](CC)(CC)CCCN(C(=O)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.52
ALDH1A1 P00352 4/20 0.49
ADRB2 P07550 1/20 0.49
PKM P14618 1/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
JAK2 O60674 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
TP53 P04637 1/20 0.42
MLYCD O95822 1/20 0.41
PTGIR P43119 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL12876027 0.86 ADRA2C (0.51) ADRA2CALDH1A1ADRB2PKMMAPT
SCHEMBL12875979 0.85 ADRA2C (0.50) ADRA2CALDH1A1ADRB2PKMMAPT
SCHEMBL1928093 0.82 PKM (0.54) ADRA2CALDH1A1ADRB2PKMMAPT
SCHEMBL9809224 0.78 HPGD (0.66) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL12876270 0.78 ALDH1A1 (0.48) ADRA2CALDH1A1ADRB2PKMMAPT
SCHEMBL16285228 0.77 HPGD (0.50) ADRA2CALDH1A1PKMHPGDMEN1
SCHEMBL9001628 0.75 ADRA2C (0.71) ADRA2CALDH1A1ADRB2MAPTHPGD
SCHEMBL6569544 0.74 PKM (0.56) ADRA2CALDH1A1PKMHPGDMEN1
SCHEMBL8959907 0.73 ALDH1A1 (0.64) ADRA2CALDH1A1ADRB2MAPTHPGD
SCHEMBL12031549 0.73 NPC1 (0.67) ALDH1A1PKMMEN1KMT2ANPC1

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
US-20110033203-A1 TONER, METHOD FOR MANUFACTURING THE TONER, DEVELOPER INCLUDING THE TONER, CONTAINER CONTAINING THE TONER, AND IMAGE FORMING METHOD AND APPARATUS AND PROCESS CARTRIDGE USING THE TONER WATANABE YOHICHIROH 2011-02-10 US disclosed