SCHEMBL30475052

SCHEMBL30475052

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCCNc5ccc([N+](=O)[O-])c6nonc56)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 2/20 0.54
▸ POLA1 P09884 1/20 0.53
▸ ST6GAL1 P15907 3/20 0.51
▸ ST3GAL1 Q11201 2/20 0.51
▸ PLA2G2A P14555 1/20 0.51
▸ ST3GAL3 Q11203 1/20 0.51
▸ USP2 O75604 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ABCB1 P08183 1/20 0.48
▸ OSBP P22059 1/20 0.48
▸ RORC P51449 1/20 0.48
▸ OSBP2 Q969R2 1/20 0.48
▸ NPC1L1 Q9UHC9 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ NR1H3 Q13133 2/20 0.46
▸ GBA1 P04062 1/20 0.45
▸ UGCG Q16739 1/20 0.45
▸ GBA2 Q9HCG7 1/20 0.45

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
SCHEMBL31430017 1.00 CYP46A1 (0.54) CYP46A1POLA1ST6GAL1ST3GAL1PLA2G2A
SCHEMBL4142848 0.89 POLA1 (0.54) CYP46A1POLA1ST6GAL1ST3GAL1PLA2G2A
SCHEMBL29644556 0.88 POLA1 (0.52) CYP46A1POLA1ST6GAL1ST3GAL1PLA2G2A
SCHEMBL1956603 0.87 OSBP (0.47) CYP46A1POLA1ST6GAL1ST3GAL1ST3GAL3
SCHEMBL13311383 0.87 OSBP (0.47) CYP46A1POLA1ST6GAL1ST3GAL1ST3GAL3
SCHEMBL12639020 0.87 CYP46A1 (0.47) CYP46A1POLA1ST6GAL1ST3GAL1ST3GAL3
SCHEMBL12639016 0.87 OSBP (0.47) CYP46A1POLA1ST6GAL1ST3GAL1ST3GAL3
SCHEMBL13311391 0.87 CYP46A1 (0.47) CYP46A1POLA1ST6GAL1ST3GAL1ST3GAL3
SCHEMBL1878894 0.87 CYP46A1 (0.47) CYP46A1POLA1ST6GAL1ST3GAL1ST3GAL3
SCHEMBL1956604 0.87 OSBP (0.47) CYP46A1POLA1ST6GAL1ST3GAL1ST3GAL3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4469058-A1 ANTI-PARASITE COMPOUNDS Australian National University (AU) 2024-12-04 — — EP disclosed
WO-2023137529-A1 ANTI-PARASITE COMPOUNDS AUSTRALIAN NATIONAL UNIVERSITY (AU) 2023-07-27 — — WO disclosed
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