SCHEMBL23028565

SCHEMBL23028565

NCCC(=O)OCCc1ncno1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES1 P23141 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
APP P05067 2/20 0.32
NPC1 O15118 1/20 0.30

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
SCHEMBL23028563 0.88
SCHEMBL23028569 0.82 TDP1 (0.32) TDP1APP
SCHEMBL23028566 0.80
SCHEMBL23028650 0.80 POLB (0.30) POLB
SCHEMBL23028652 0.76 ALDH1A1 (0.31) TDP1ALDH1A1POLB
SCHEMBL23028560 0.73 CES1 (0.36) CES1NCEH1
SCHEMBL23028559 0.73 TSHR (0.47) ALDH1A1TSHRSMN1; SMN2L3MBTL1CES1
SCHEMBL7594598 0.72 TDP1 (0.48) TDP1ALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL15333044 0.70 RXRA (0.41) ALDH1A1TSHRCES1NCEH1
SCHEMBL28118444 0.67 TDP1 (0.72) TDP1ALDH1A1TSHRSMN1; SMN2L3MBTL1

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
WO-2021034548-A1 MITOCHONDRIAL MODULATION TO IMPROVE METABOLIC SYNDROME DURING AGING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-02-25 WO disclosed