SCHEMBL30576331

SCHEMBL30576331

COC1(OC)CC(=O)c2ccccc2O1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
SIGMAR1 Q99720 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PPIB P23284 1/20 0.38

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
SCHEMBL28739760 0.83 ATM (0.41) ATMSIGMAR1L3MBTL1MAOBALDH1A1
SCHEMBL15346163 0.83 ATM (0.48) ATMSIGMAR1L3MBTL1MAOBMAPT
SCHEMBL30065841 0.80 ALDH1A1 (0.60) ATMSIGMAR1MAOBMAPTALDH1A1
SCHEMBL544297 0.80 ALDH1A1 (0.60) ATMSIGMAR1MAOBMAPTALDH1A1
SCHEMBL2120395 0.78 ATM (0.44) ATMSIGMAR1L3MBTL1MAOBMAPT
Dimethylamine SCHEMBL11162660 0.76 KDM4E (0.55) ATMSIGMAR1MAOBMAPTALDH1A1
SCHEMBL25082424 0.74 ATM (0.44) ATMSIGMAR1L3MBTL1MAOBMAPT
SCHEMBL8798562 0.74 ATM (0.44) ATMSIGMAR1L3MBTL1MAOBMAPT
SCHEMBL3221175 0.74 L3MBTL1 (0.44) ATMSIGMAR1L3MBTL1MAOBMAPT
SCHEMBL28693416 0.74 ATM (0.49) ATMSIGMAR1MAOBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250134146-A1 FLAVANONE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2025-05-01 US disclosed
EP-4448506-A1 FLAVANONE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS Firmenich Incorporated (US) 2024-10-23 EP disclosed
WO-2023172394-A1 FLAVANONE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2023-09-14 WO disclosed