SCHEMBL29690187

SCHEMBL29690187

Cc1cccc(OCC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
SSTR4 P31391 1/20 0.47
DRD3 P35462 1/20 0.46
MAOB P27338 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
F2 P00734 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3711600 1.00 ACHE (0.52) ACHEDRD2DRD4SSTR4DRD3
SCHEMBL10534532 0.87 PDK2 (0.45) MAOBLMNA
SCHEMBL16252778 0.85 ACHE (0.48) ACHEDRD2DRD4SSTR4DRD3
SCHEMBL15782887 0.85 ACHE (0.48) ACHEDRD2DRD4SSTR4DRD3
SCHEMBL4348572 0.82 ACHE (0.50) ACHEDRD2DRD4DRD3MAOB
SCHEMBL24943144 0.82 ACHE (0.46) ACHEDRD2DRD4SSTR4DRD3
SCHEMBL19647450 0.82 ACHE (0.50) ACHEDRD2DRD4SSTR4DRD3
SCHEMBL17277504 0.82 ACHE (0.46) ACHEDRD2DRD4SSTR4DRD3
SCHEMBL5738866 0.81 ACHE (0.53) ACHEDRD2DRD4SSTR4DRD3
SCHEMBL15085789 0.81 DRD2 (0.53) ACHEDRD2DRD4DRD3TDP1

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
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 claimed
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
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 claimed
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