SCHEMBL28675474

SCHEMBL28675474

OCCC(Oc1ccccc1)C1CO1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
HRH3 Q9Y5N1 1/20 0.32
SLC6A4 P31645 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 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
SCHEMBL6021886 0.79 TDP1 (0.42) TDP1ALDH1A1HRH3TP53CYP3A4
SCHEMBL20388803 0.77 TDP1 (0.40) TDP1HRH3
SCHEMBL8517943 0.76 TDP1 (0.37) TDP1HRH3
SCHEMBL9537388 0.75 TDP1 (0.39) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL4920114 0.72
SCHEMBL2383807 0.71 TDP1 (0.35) TDP1
SCHEMBL2383804 0.71 TDP1 (0.35) TDP1
SCHEMBL28226318 0.70 TRPA1 (0.41)
SCHEMBL5729586 0.70 ALDH1A1 (0.46) TDP1ALDH1A1RECQLSLC6A4TSHR
SCHEMBL6438883 0.70 ALDH1A1 (0.46) TDP1ALDH1A1RECQLSLC6A4TSHR

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-113917598-A Low-loss micro-structural optical fiber and preparation method thereof 芮汉华 2022-01-11 CN disclosed
CN-113917598-A Low-loss micro-structural optical fiber and preparation method thereof 芮汉华 2022-01-11 CN disclosed