SCHEMBL528283

SCHEMBL528283

COc1cc(CCOC(N)=O)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
AKR1B1 P15121 1/20 0.45
LMNA P02545 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CALM1 P0DP23 2/20 0.41
DAO P14920 1/20 0.41
CNR1 P21554 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPK8 P45983 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL28786452 0.89 CYP4F2 (0.42) CYP19A1AKR1B1LMNAGRIN2DGRIN3B
SCHEMBL28168240 0.84 APEX1 (0.44) CYP19A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL27643038 0.84 TNKS2 (0.49) CYP19A1AKR1B1NPC1MAPTRAB9A
SCHEMBL16244900 0.83 TAAR1 (0.58)
SCHEMBL14783546 0.82 SMN1; SMN2 (0.60) LMNANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL112110 0.81 KMT2A (0.44) CYP19A1GRIN2DGRIN3BGRIN1GRIN2A
Carbamic Acid SCHEMBL27856575 0.79 L3MBTL1 (0.43) CYP19A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14672756 0.76 MTNR1A (0.49) CYP19A1AKR1B1GRIN2DGRIN3BGRIN1
SCHEMBL28003037 0.76 ATM (0.59) CYP19A1ALDH1A1KMT2A
SCHEMBL16453478 0.74 CYP19A1 (0.53) CYP19A1AKR1B1CALM1DAOPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4724418-A1 TRICINE AND CITRIC ACID-BASED CATIONIC LIPIDS Sanofi (FR) 2026-04-15 EP disclosed
WO-2025104706-A2 SMALL MOLECULE MODULATORS OF MAS AND MRGD RECEPTORS XITRA THERAPEUTICS GMBH (DE) 2025-05-22 WO disclosed
EP-4554671-A1 CYCLIC PEPTIDE INHIBITORS OF IL-23 JANSSEN Pharmaceutica NV (BE) 2025-05-21 EP disclosed
WO-2025003759-A1 DIANHYDROHEXITOL BASED IONIZABLE LIPIDS FOR NUCLEIC ACID DELIVERY SANOFI (FR) 2025-01-02 WO disclosed
WO-2025003755-A1 HELPER LIPIDS FOR NUCLEIC ACID DELIVERY SANOFI (FR) 2025-01-02 WO disclosed
EP-4337665-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF Theseus Pharmaceuticals, Inc. (US) 2024-03-20 EP disclosed
WO-2024015958-A1 CYCLIC PEPTIDE INHIBITORS OF IL-23 JANSSEN PHARMACEUTICA NV (BE) 2024-01-18 WO disclosed
EP-4217340-A1 TES-BASED CATIONIC LIPIDS Translate Bio, Inc. (US) 2023-08-02 EP disclosed
EP-4126813-A1 PHENOLIC ACID LIPID BASED CATIONIC LIPIDS Translate Bio, Inc. (US) 2023-02-08 EP disclosed
WO-2022240978-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF THESEUS PHARMACEUTICALS, INC. (US) 2022-11-17 WO disclosed
WO-2022066678-A1 TES-BASED CATIONIC LIPIDS TRANSLATE BIO, INC. (US) 2022-03-31 WO disclosed
EP-2598170-A2 DRUG-LIGAND CONJUGATES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO Smartcells, Inc. (US) 2013-06-05 EP disclosed
WO-2012015681-A2 DRUG-LIGAND CONJUGATES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO SMARTCELLS, INC. (US) 2012-02-02 WO disclosed