SCHEMBL30840609

SCHEMBL30840609

CCOC(=O)C1(C(=O)OCC)Cc2ccc(C(C)C(=O)OC(C)(C)C)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
BRD4 O60885 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
OPRM1 P35372 2/20 0.31
SLC22A1 O15245 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13259310 0.82 ESR1 (0.39) ESR1ESR2ALDH1A1MAPTBRD4
SCHEMBL3633908 0.77 BRD4 (0.46) MEN1ALDH1A1MAPTKMT2ABRD4
SCHEMBL16836002 0.77 MEN1 (0.36) ESR1ESR2MEN1ALDH1A1MAPT
SCHEMBL27284536 0.75 ESR1 (0.35) ESR1ESR2MEN1ALDH1A1MAPT
SCHEMBL30840562 0.75 ESR1 (0.35) ESR1ESR2MEN1ALDH1A1MAPT
SCHEMBL13259212 0.75 OPRM1 (0.43) ESR1ESR2MEN1ALDH1A1MAPT
SCHEMBL11881166 0.74 ESR1 (0.38) ESR1ESR2BRD4OPRM1SLC22A1
SCHEMBL11563271 0.74 ALDH1A1 (0.42) MEN1ALDH1A1MAPTKMT2ALMNA
SCHEMBL11527873 0.74 MAPK1 (0.40) MEN1ALDH1A1KMT2ABRD4AKR1C3
SCHEMBL4520334 0.73 CXCR5 (0.43) ESR1ESR2ALDH1A1SMN1; SMN2

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-4583972-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF Sionna Therapeutics Inc. (US) 2025-07-16 EP disclosed
WO-2024054840-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 WO disclosed