SCHEMBL29137625

SCHEMBL29137625

O=CC1OCC(c2cccc3ccccc23)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
EPHX1 P07099 1/20 0.39
KDM1A O60341 1/20 0.39
PLA2G6 O60733 4/20 0.37
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
BLM P54132 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
FAAH O00519 1/20 0.37
NPC1 O15118 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPC5 Q9UL62 1/20 0.37

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
SCHEMBL2464189 0.76 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3EPHX1KDM1A
SCHEMBL10300820 0.76 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3EPHX1KDM1A
SCHEMBL5852684 0.76 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3EPHX1KDM1A
SCHEMBL27716177 0.74 TSHR (0.52) SLC6A4SLC6A2SLC6A3HSD17B10KDM4E
Methyl Alcohol SCHEMBL8766877 0.72 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3EPHX1KDM1A
SCHEMBL5699413 0.70 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3EPHX1KDM1A
SCHEMBL2321092 0.70 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3EPHX1KDM1A
SCHEMBL30360438 0.69 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3EPHX1KDM1A
SCHEMBL7057774 0.69 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3EPHX1KDM1A
SCHEMBL3073148 0.68 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3EPHX1KDM1A

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
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