SCHEMBL24938423

SCHEMBL24938423

CC(C)C(C)NC(=O)COCCCCO

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CES2 O00748 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ACHE P22303 6/20 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
SCHEMBL20100736 0.80 SMN1; SMN2 (0.44) GAASMN1; SMN2HPGDNPSR1L3MBTL1
SCHEMBL20234241 0.80 ALDH1A1 (0.41) GAASMN1; SMN2HPGDNPSR1L3MBTL1
SCHEMBL19033101 0.79 SMN1; SMN2 (0.43) GAASMN1; SMN2HPGDNPSR1L3MBTL1
SCHEMBL21900547 0.77 GAA (0.39) GAASMN1; SMN2HPGDL3MBTL1ALDH1A1
SCHEMBL20234246 0.76 SMN1; SMN2 (0.41) GAASMN1; SMN2HPGDNPSR1L3MBTL1
SCHEMBL8600123 0.74 GAA (0.50) GAASMN1; SMN2CES2CYP4F2CYP4A11
SCHEMBL8596890 0.74 GAA (0.50) GAASMN1; SMN2CES2CYP4F2CYP4A11
SCHEMBL20104859 0.72 ALDH1A1 (0.42) GAASMN1; SMN2HPGDNPSR1L3MBTL1
SCHEMBL11617169 0.72 LMNA (0.40) GAASMN1; SMN2HPGDL3MBTL1ALDH1A1
SCHEMBL24242137 0.71 SMN1; SMN2 (0.49) GAASMN1; SMN2HPGDNPSR1L3MBTL1

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
EP-4119539-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2023-01-18 EP disclosed