SCHEMBL31389162

SCHEMBL31389162

CCOC(=O)[C@@H](NC(=O)C=Cc1ccccc1)[C@@H](C)CC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.65
NOS1 P29475 5/20 0.65
NOS2 P35228 5/20 0.65
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
EGFR P00533 3/20 0.50
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
UTS2R Q9UKP6 1/20 0.47
CNR2 P34972 1/20 0.47
RAB9A P51151 2/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46

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
SCHEMBL31389136 0.90 TDP1 (0.56) NOS3NOS1NOS2TDP1ALDH1A1
SCHEMBL22994339 0.87 NOS3 (0.60) NOS3NOS1NOS2TDP1ALDH1A1
SCHEMBL14691673 0.84 TDP1 (0.58) NOS3NOS1NOS2TDP1ALDH1A1
SCHEMBL14691675 0.84 TDP1 (0.58) NOS3NOS1NOS2TDP1ALDH1A1
SCHEMBL31389139 0.81 ALDH1A1 (0.52) NOS3NOS1NOS2TDP1ALDH1A1
SCHEMBL25497364 0.81 ALDH1A1 (0.52) NOS3NOS1NOS2TDP1ALDH1A1
SCHEMBL10814383 0.80 TDP1 (0.54) NOS3NOS1NOS2TDP1ALDH1A1
SCHEMBL10814392 0.80 TDP1 (0.54) NOS3NOS1NOS2TDP1ALDH1A1
SCHEMBL31389156 0.80 NOS2 (0.62) NOS3NOS1NOS2TDP1ALDH1A1
SCHEMBL25498166 0.79 KDM4E (0.64) NOS3NOS1NOS2TDP1ALDH1A1

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 1 patent. 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