SCHEMBL8998345

SCHEMBL8998345

CC(O)COC(=O)C(N)CC(C)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.37
▸ SLC1A3 P43003 3/20 0.33
▸ SLC1A2 P43004 3/20 0.33
▸ SLC1A1 P43005 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ LAP3 P28838 3/20 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
SCHEMBL23408836 0.78 CYP19A1 (0.39) SLC7A5SLC1A3SLC1A2SLC1A1MAPK1
SCHEMBL8517612 0.77 ALDH1A1 (0.36) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL4762688 0.76 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL7359844 0.76 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL23408678 0.75 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL2368385 0.75 NOS1 (0.39) SLC7A5SLC1A3SLC1A2SLC1A1MAPK1
SCHEMBL29194171 0.75 GSR (0.50) MAPT
SCHEMBL24414542 0.74 MAPT (0.47) MAPTTSHRMAPK1HSD17B10
SCHEMBL24414476 0.74 MAPT (0.47) MAPTTSHRMAPK1HSD17B10
SCHEMBL24414506 0.74 MAPT (0.47) MAPTTSHRMAPK1HSD17B10

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
EP-0725636-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1996-08-14 — — EP disclosed
WO-1995010272-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1995-04-20 — — WO disclosed
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