SCHEMBL30802452

SCHEMBL30802452

CCCCOC(=O)NC1CC2(CCNCC2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAAA Q02083 2/20 0.42
EPHX1 P07099 3/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
ACHE P22303 6/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL21062750 0.86 GAA (0.46) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL19692920 0.82 GAA (0.41) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL953293 0.81 GNAI3 (0.55) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL3332407 0.77 NAAA (0.52) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL9218015 0.77 NAAA (0.44) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL7747243 0.77 NAAA (0.41) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL30059377 0.77 SMN1; SMN2 (0.48) GAAMAPK1HTTSMN1; SMN2NAAA
Hydrochloric Acid SCHEMBL23850454 0.76 NAAA (0.51) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL21856082 0.76 EPHX1 (0.50) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL951710 0.75 GAA (0.50) GAAMAPK1HTTSMN1; SMN2NAAA

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-2024054512-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-03-14 WO disclosed