SCHEMBL25498166

SCHEMBL25498166

CCOC(=O)[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)[C@@H](C)CC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.64
ALDH1A1 P00352 9/20 0.64
NOS3 P29474 4/20 0.57
NOS1 P29475 4/20 0.57
NOS2 P35228 4/20 0.57
MAPT P10636 4/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
HPGD P15428 7/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL25498073 0.92 KDM4E (0.66) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL25498165 0.83 KDM4E (0.64) KDM4EALDH1A1NOS3NOS1NOS2
SCHEMBL13802866 0.81 KDM4E (0.63) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL25498077 0.80 KDM4E (0.66) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL31345022 0.79 MAOB (0.64) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL25498076 0.79 KDM4E (0.60) KDM4EALDH1A1NOS3NOS1NOS2
SCHEMBL31389162 0.79 NOS3 (0.65) ALDH1A1NOS3NOS1NOS2MAPT
SCHEMBL3565700 0.77 KDM4E (0.72) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL3565699 0.77 KDM4E (0.72) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL34468091 0.77 KDM4E (0.72) KDM4EALDH1A1MAPTNPC1RAB9A

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
US-20250024871-A1 AMIDE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2025-01-23 US disclosed
WO-2023091315-A2 AMIDE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2023-05-25 WO disclosed