SCHEMBL22129498

SCHEMBL22129498

CCN(CC)CCC[Si](O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
PAOX Q6QHF9 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
SLC2A1 P11166 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL22123319 0.82 KMT2A (0.36) ALDH1A1NPSR1MEN1POLBKMT2A
SCHEMBL13718584 0.82 FDPS (0.33) ALDH1A1NPSR1PAOXMEN1KMT2A
SCHEMBL16724855 0.78 SIGMAR1 (0.34) ALDH1A1NPSR1PAOXSIGMAR1HRH4
SCHEMBL21081998 0.76 ALDH1A1 (0.37) ALDH1A1NPSR1PAOXSIGMAR1HRH4
SCHEMBL15052279 0.75 SIGMAR1 (0.48) ALDH1A1NPSR1PAOXSIGMAR1HRH4
SCHEMBL235041 0.75 SIGMAR1 (0.42) ALDH1A1NPSR1PAOXSIGMAR1HRH4
SCHEMBL234338 0.75 SIGMAR1 (0.48) ALDH1A1NPSR1PAOXSIGMAR1HRH4
SCHEMBL17739561 0.74 ALDH1A1 (0.47) ALDH1A1HRH4
SCHEMBL16724869 0.74 ALDH1A1 (0.36) ALDH1A1NPSR1SIGMAR1HRH4HRH3
SCHEMBL8376753 0.74 MEN1 (0.41) ALDH1A1HRH4HRH3MEN1POLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897562-A1 AGENT FOR DYEING HAIR, CONTAINING AT LEAST ONE ORGANIC SILICON COMPOUND I Henkel AG & Co. KGaA (DE) 2021-10-27 EP claimed
CN-113329731-A Hair colouring agent comprising at least one organosilicon compound I 汉高股份有限及两合公司 2021-08-31 CN claimed
WO-2020126140-A9 AGENT FOR DYEING HAIR, CONTAINING AT LEAST ONE ORGANIC SILICON COMPOUND I HENKEL AG & CO. KGAA (DE) 2021-04-15 WO claimed
WO-2020126140-A1 AGENT FOR DYEING HAIR, CONTAINING AT LEAST ONE ORGANIC SILICON COMPOUND I HENKEL AG & CO. KGAA (DE) 2020-06-25 WO claimed
EP-3897562-A1 AGENT FOR DYEING HAIR, CONTAINING AT LEAST ONE ORGANIC SILICON COMPOUND I Henkel AG & Co. KGaA (DE) 2021-10-27 EP disclosed
CN-113329731-A Hair colouring agent comprising at least one organosilicon compound I 汉高股份有限及两合公司 2021-08-31 CN disclosed
WO-2020126140-A9 AGENT FOR DYEING HAIR, CONTAINING AT LEAST ONE ORGANIC SILICON COMPOUND I HENKEL AG & CO. KGAA (DE) 2021-04-15 WO disclosed
WO-2020126140-A1 AGENT FOR DYEING HAIR, CONTAINING AT LEAST ONE ORGANIC SILICON COMPOUND I HENKEL AG & CO. KGAA (DE) 2020-06-25 WO disclosed