SCHEMBL16995494

SCHEMBL16995494

COc1ccc(C(OCC2CN(C(=O)CCCCCNC(=O)O[C@H]3CC[C@@]4(C)C(=CCC5C4CC[C@@]4(C)C5CC[C@@H]4C(C)CCCC(C)C)C3)CC2O)(c2ccccc2)c2ccc(OCN=[N+]=[N-])cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.44
CYP46A1 Q9Y6A2 2/20 0.43
PLA2G2A P14555 1/20 0.42
GBA1 P04062 2/20 0.41
UGCG Q16739 2/20 0.41
GBA2 Q9HCG7 2/20 0.41
EPHA2 P29317 3/20 0.41
NR1H3 Q13133 3/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
ABCB1 P08183 1/20 0.40
OSBP P22059 1/20 0.40
RORC P51449 1/20 0.40
OSBP2 Q969R2 1/20 0.40
APP P05067 1/20 0.40
NPC1L1 Q9UHC9 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL16995493 0.94 POLA1 (0.43) POLA1CYP46A1PLA2G2AGBA1UGCG
SCHEMBL14534344 0.94 POLA1 (0.50) POLA1CYP46A1PLA2G2AGBA1UGCG
SCHEMBL345099 0.94 POLA1 (0.50) POLA1CYP46A1PLA2G2AGBA1UGCG
SCHEMBL17468531 0.94 POLA1 (0.50) POLA1CYP46A1PLA2G2AGBA1UGCG
SCHEMBL863221 0.94 POLA1 (0.50) POLA1CYP46A1PLA2G2AGBA1UGCG
SCHEMBL24141906 0.94 POLA1 (0.50) POLA1CYP46A1PLA2G2AGBA1UGCG
SCHEMBL14046807 0.94 POLA1 (0.50) POLA1CYP46A1PLA2G2AGBA1UGCG
SCHEMBL14538772 0.94 POLA1 (0.50) POLA1CYP46A1PLA2G2AGBA1UGCG
SCHEMBL14554227 0.92 POLA1 (0.51) POLA1CYP46A1PLA2G2AGBA1UGCG
SCHEMBL22757123 0.89 POLA1 (0.49) POLA1CYP46A1PLA2G2AGBA1UGCG

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-2905336-A1 Compositions and methods for inhibiting expression of a gene from the ebola Alnylam Pharmaceuticals Inc. (US) 2015-08-12 EP disclosed