SCHEMBL5591154

SCHEMBL5591154

CC(=O)Oc1ccccc1C(=O)OC1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.65
CYP46A1 Q9Y6A2 2/20 0.64
OSBP P22059 3/20 0.59
USP2 O75604 2/20 0.59
RORC P51449 2/20 0.59
LMNA P02545 1/20 0.59
ABCB1 P08183 1/20 0.59
OSBP2 Q969R2 1/20 0.59
CYP1A2 P05177 1/20 0.56
EPHA2 P29317 2/20 0.54
NR1H3 Q13133 2/20 0.54
NPC1L1 Q9UHC9 2/20 0.53
NPC1 O15118 1/20 0.53
GBA1 P04062 2/20 0.52
UGCG Q16739 2/20 0.52
GBA2 Q9HCG7 2/20 0.52
PLA2G2A P14555 1/20 0.52
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51

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
SCHEMBL8912626 1.00 POLA1 (0.65) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL9186861 0.93 POLA1 (0.67) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL1296893 0.93 POLA1 (0.75) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL9186858 0.90 POLA1 (0.69) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL4437346 0.90 POLA1 (0.73) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL1296888 0.90 POLA1 (0.73) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL2979168 0.90 POLA1 (0.69) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL1296890 0.90 POLA1 (0.73) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL2979167 0.90 POLA1 (0.69) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL19460417 0.90 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-20070112593-A1 Selection system, dispensing system and treatment with a one-a-day combination pill for hypertension, hypercholesterolemia, hypertriglyceridemia and anti-platelet treatment RXCERA PHARMACEUTICAL, INC. 2007-05-17 US disclosed