SCHEMBL31389136

SCHEMBL31389136

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
NOS3 P29474 4/20 0.51
NOS1 P29475 4/20 0.51
NOS2 P35228 4/20 0.51
RAB9A P51151 3/20 0.49
EGFR P00533 2/20 0.49
CNR2 P34972 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL31389162 0.90 NOS3 (0.65) TDP1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7422933 0.87 TDP1 (0.60) TDP1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7422939 0.87 TDP1 (0.60) TDP1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14691673 0.86 TDP1 (0.58) TDP1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14691675 0.86 TDP1 (0.58) TDP1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL25497558 0.86 TAS1R3 (0.66) CYP1A2MAPK1CYP2C19NOS3NOS1
SCHEMBL31389129 0.86 TAS1R3 (0.69) ALDH1A1MAPK1NOS3NOS1NOS2
SCHEMBL31389128 0.86 TAS1R3 (0.66) CYP1A2MAPK1CYP2C19NOS3NOS1
SCHEMBL7425739 0.83 TDP1 (0.65) TDP1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7425727 0.83 TDP1 (0.65) TDP1ALDH1A1CYP1A2CYP3A4CYP2C9

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