SCHEMBL28833969

SCHEMBL28833969

O=C1OCC(c2cccc3ccccc23)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
MTNR1A P48039 1/20 0.43
IDO1 P14902 1/20 0.43
KDM1A O60341 1/20 0.42
GSK3B P49841 2/20 0.42
ADK P55263 1/20 0.42
MAPK1 P28482 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
BLM P54132 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP2 O95551 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP3 P42574 1/20 0.42
HTT P42858 1/20 0.42
GALK1 P51570 1/20 0.42

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
SCHEMBL576846 0.77 MTNR1A (0.50) SLC6A4SLC6A2SLC6A3MTNR1AIDO1
SCHEMBL5852684 0.76 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3MTNR1AIDO1
SCHEMBL2464189 0.76 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3MTNR1AIDO1
SCHEMBL10300820 0.76 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3MTNR1AIDO1
SCHEMBL16463878 0.76 HTR2C (0.39) SLC6A4SLC6A2SLC6A3KDM1AMAPK1
SCHEMBL576000 0.73 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3MTNR1AIDO1
SCHEMBL5699413 0.73 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3MTNR1AIDO1
SCHEMBL16464388 0.72 CYP19A1 (0.50) ALDH1A1MAPTHPGDKDM4EL3MBTL1
SCHEMBL30528424 0.72 SLC37A4 (0.46) SLC6A4SLC6A2SLC6A3MTNR1AIDO1
Methyl Alcohol SCHEMBL8766877 0.72 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3MTNR1AIDO1

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
CN-114854024-B Modified carbamate silicone oil emulsion, preparation method thereof and method for preparing polyacrylonitrile carbon fiber 东华大学 2023-03-28 CN disclosed
CN-114854024-A Modified carbamate silicone oil emulsion, preparation method thereof and method for preparing polyacrylonitrile carbon fiber 东华大学 2022-08-05 CN disclosed