SCHEMBL31336573

SCHEMBL31336573

CC(C)(C)C[C@@H](N)OC(=O)N1CCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
DPP4 P27487 2/20 0.34
TSHR P16473 1/20 0.33
HSD11B1 P28845 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL29062973 0.76 SMN1; SMN2 (0.34) HPGDNPC1MAPTHTTRAB9A
SCHEMBL29116529 0.74 ALDH1A1 (0.42) HPGDNPC1MAPTHTTRAB9A
SCHEMBL31336446 0.72 SMN1; SMN2 (0.41) HPGDNPC1MAPTHTTRAB9A
SCHEMBL29133315 0.72 HPGD (0.33) HPGDNPC1MAPTHTTRAB9A
SCHEMBL20051886 0.72 SMN1; SMN2 (0.42) HPGDNPC1MAPTHTTRAB9A
SCHEMBL10219753 0.72 DPP4 (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL12283406 0.70 ALDH1A1 (0.45) HPGDNPC1MAPTHTTRAB9A
SCHEMBL12282193 0.70 ALDH1A1 (0.45) HPGDNPC1MAPTHTTRAB9A
SCHEMBL390019 0.70 ALDH1A1 (0.45) HPGDNPC1MAPTHTTRAB9A
SCHEMBL3691255 0.70 TSHR (0.39) MAPTSMN1; SMN2DPP4TSHRTDP1

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
CN-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 CN disclosed