SCHEMBL25833503

SCHEMBL25833503

CCCN(CCC)C(=O)C12CC3CC(CC(OC)(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.40
DPP4 P27487 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PKM P14618 1/20 0.33
THRB P10828 1/20 0.33
HSD11B1 P28845 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL25833496 0.79 GAA (0.52) GAANPSR1DPP4ALDH1A1MEN1
SCHEMBL7748923 0.75 ALDH1A1 (0.47) GAANPSR1DPP4ALDH1A1MEN1
SCHEMBL11093229 0.75 THRB (0.41) GAANPSR1DPP4ALDH1A1MEN1
SCHEMBL26017392 0.73 NPSR1 (0.43) NPSR1DPP4ALDH1A1PKMTHRB
SCHEMBL5567730 0.73 GAA (0.78) GAANPSR1DPP4ALDH1A1MEN1
SCHEMBL5569071 0.68 GAA (0.69) GAANPSR1DPP4ALDH1A1MEN1
SCHEMBL6901718 0.68 NPSR1 (0.39) NPSR1DPP4ALDH1A1PKMHSD11B1
SCHEMBL12705423 0.68 NPSR1 (0.45) NPSR1DPP4ALDH1A1MEN1KMT2A
SCHEMBL686304 0.67 NPSR1 (0.44) NPSR1DPP4ALDH1A1MEN1KMT2A
SCHEMBL5608660 0.67 MEN1 (0.46) GAANPSR1ALDH1A1MEN1KMT2A

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-2023135425-A1 INHIBITORS OF TRANSGLUTAMINASE ASTON UNIVERSITY (GB) 2023-07-20 WO disclosed