SCHEMBL29690394

SCHEMBL29690394

CC(C)C(C)COC1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
HTT P42858 4/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3172425 0.81 KDM4E (0.31) KDM4E
SCHEMBL8077669 0.80 NPC1 (0.37) NPC1HTTKDM4EMEN1KMT2A
SCHEMBL13676856 0.78 NPC1 (0.40) NPC1HTTKDM4EMEN1KMT2A
SCHEMBL11413127 0.78 NPC1 (0.35) NPC1HTTKDM4EMEN1KMT2A
SCHEMBL2328813 0.78 NPC1 (0.40) NPC1HTTKDM4EMEN1KMT2A
SCHEMBL20227991 0.77 HRH3 (0.40)
SCHEMBL1444882 0.76 NPC1 (0.34) NPC1HTTKDM4EMEN1KMT2A
SCHEMBL11141837 0.76 HTT (0.41) NPC1HTTKDM4EMEN1KMT2A
SCHEMBL12606264 0.75
SCHEMBL23465603 0.74 NPC1 (0.38) NPC1HTTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670108-A Ether compounds as volatiles for treating amino acid based substrates such as skin and hair 迈图高新材料有限责任公司 2023-08-29 CN claimed
EP-4277591-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR Momentive Performance Materials GmbH (DE) 2023-11-22 EP disclosed
CN-116670108-A Ether compounds as volatiles for treating amino acid based substrates such as skin and hair 迈图高新材料有限责任公司 2023-08-29 CN disclosed
WO-2022152742-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2022-07-21 WO disclosed