SCHEMBL23028564

SCHEMBL23028564

NCC(=O)SCCc1ncno1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.32
NCEH1 Q6PIU2 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
SCHEMBL23028560 0.88 CES1 (0.36) CES1NCEH1
SCHEMBL23028562 0.81 CES1 (0.31) CES1NCEH1
SCHEMBL23028561 0.79 CES1 (0.32) CES1NCEH1
SCHEMBL23028653 0.79
SCHEMBL23028651 0.77
SCHEMBL23028568 0.71 CA1 (0.41)
SCHEMBL23028563 0.71
SCHEMBL30753152 0.70 NR4A2 (0.40) CES1NCEH1
SCHEMBL17513979 0.66
SCHEMBL23028559 0.66 TSHR (0.47) CES1NCEH1

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