SCHEMBL29094045

SCHEMBL29094045

CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C.CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 3/20 1.00
NR1H3 Q13133 3/20 0.83
POLA1 P09884 1/20 0.74
OSBP P22059 3/20 0.71
USP2 O75604 2/20 0.71
RORC P51449 2/20 0.71
LMNA P02545 1/20 0.71
ABCB1 P08183 1/20 0.71
OSBP2 Q969R2 1/20 0.71
GRIN2A Q12879 2/20 0.63
GRIN2D O15399 1/20 0.63
GRIN2B Q13224 1/20 0.63
GRIN2C Q14957 1/20 0.63
GRIN1 Q05586 1/20 0.61
GBA1 P04062 2/20 0.60
UGCG Q16739 2/20 0.60
GBA2 Q9HCG7 2/20 0.60
NPC1L1 Q9UHC9 2/20 0.59

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
SCHEMBL161397 1.00 CYP46A1 (1.00) CYP46A1NR1H3POLA1OSBPUSP2
SCHEMBL3509637 1.00 CYP46A1 (1.00) CYP46A1NR1H3POLA1OSBPUSP2
SCHEMBL2304848 1.00 CYP46A1 (1.00) CYP46A1NR1H3POLA1OSBPUSP2
SCHEMBL192029 1.00 CYP46A1 (1.00) CYP46A1NR1H3POLA1OSBPUSP2
SCHEMBL25063545 1.00 CYP46A1 (1.00) CYP46A1NR1H3POLA1OSBPUSP2
SCHEMBL22077526 1.00 CYP46A1 (1.00) CYP46A1NR1H3POLA1OSBPUSP2
SCHEMBL25063542 1.00 CYP46A1 (1.00) CYP46A1NR1H3POLA1OSBPUSP2
SCHEMBL16248291 1.00 CYP46A1 (1.00) CYP46A1NR1H3POLA1OSBPUSP2
SCHEMBL21334348 1.00 CYP46A1 (1.00) CYP46A1NR1H3POLA1OSBPUSP2
SCHEMBL21824301 1.00 CYP46A1 (1.00) CYP46A1NR1H3POLA1OSBPUSP2

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-116919989-A Method for regulating vesicle distribution and therapeutic effect by using surface charge 中山大学 2023-10-24 CN disclosed