SCHEMBL13615226

SCHEMBL13615226

COC(=O)O[C@H]1CCC2(C)C(=CCC3C2CCC2(C)C3CCC2[C@@H](C)CCCC(C)C)C1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.77
CYP46A1 Q9Y6A2 2/20 0.75
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
NR1H3 Q13133 4/20 0.63
PLA2G2A P14555 1/20 0.62
NPC1L1 Q9UHC9 2/20 0.61
NPC1 O15118 1/20 0.61
CYP1A2 P05177 1/20 0.61
GRIN1 Q05586 1/20 0.61
GRIN2A Q12879 1/20 0.61
GBA1 P04062 2/20 0.60
UGCG Q16739 2/20 0.60
GBA2 Q9HCG7 2/20 0.60
EPHA2 P29317 1/20 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
SCHEMBL17817630 1.00 POLA1 (0.77) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL3204391 1.00 POLA1 (0.77) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL19608051 1.00 POLA1 (0.77) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL249326 1.00 POLA1 (0.77) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL249325 1.00 POLA1 (0.77) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL23069792 1.00 POLA1 (0.77) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL137969 0.98 POLA1 (0.79) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL6419070 0.98 POLA1 (0.79) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL29855293 0.96 POLA1 (0.77) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL16330224 0.94 POLA1 (0.73) POLA1CYP46A1OSBPUSP2RORC

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
US-7618954-B2 Delivering modified inositol hexaphosphate (IHP); enhance the ability of mammalian red blood cells to deliver oxygen, by delivering IHP to the cytoplasm of the red blood cells; cardiovascular and respiratory disorders NORMOXYS, INC. (US) 2009-11-17 US disclosed