SCHEMBL29958870

SCHEMBL29958870

COc1cc2c(cc1OCC(=O)N(C)C)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.73
ACHE P22303 6/20 0.73
MAPT P10636 5/20 0.73
RAD52 P43351 5/20 0.73
EP300 Q09472 5/20 0.73
KDM1A O60341 4/20 0.73
LMNA P02545 4/20 0.73
KDM4E B2RXH2 3/20 0.73
CYP2D6 P10635 3/20 0.73
MAPK1 P28482 2/20 0.73
HIF1A Q16665 2/20 0.73
SMN1; SMN2 Q16637 3/20 0.65
POLB P06746 1/20 0.65
GAA P10253 1/20 0.65
TRPC5 Q9UL62 1/20 0.65
RAC1 P63000 2/20 0.63
CYP1B1 Q16678 2/20 0.63
MAOB P27338 1/20 0.62
COL1A1 P02452 4/20 0.60
ALDH1A1 P00352 2/20 0.58

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
SCHEMBL27145904 1.00 CYP3A4 (0.73) CYP3A4ACHEMAPTRAD52EP300
SCHEMBL27147420 0.86 CYP3A4 (0.85) CYP3A4ACHEMAPTRAD52EP300
SCHEMBL30090754 0.85 CYP3A4 (0.83) CYP3A4ACHEMAPTRAD52EP300
Palmitine SCHEMBL29471136 0.85 CYP3A4 (1.00) CYP3A4ACHEMAPTRAD52EP300
Palmitine SCHEMBL562120 0.85 CYP3A4 (1.00) CYP3A4ACHEMAPTRAD52EP300
Palmitine SCHEMBL29350054 0.85 CYP3A4 (1.00) CYP3A4ACHEMAPTRAD52EP300
Palmitine SCHEMBL2445279 0.84 CYP3A4 (0.98) CYP3A4ACHEMAPTRAD52EP300
Palmitine SCHEMBL29766942 0.84 CYP3A4 (1.00) CYP3A4ACHEMAPTRAD52EP300
Palmitine SCHEMBL29376263 0.84 CYP3A4 (1.00) CYP3A4ACHEMAPTRAD52EP300
Palmitine SCHEMBL754702 0.84 CYP3A4 (1.00) CYP3A4ACHEMAPTRAD52EP300

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-4326227-A1 STABILIZED FORMULATIONS ModernaTX, Inc. (US) 2024-02-28 EP disclosed
WO-2022226277-A1 STABILIZED FORMULATIONS MODERNATX, INC. (US) 2022-10-27 WO disclosed