SCHEMBL31389130

SCHEMBL31389130

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
NOS2 P35228 4/20 0.49
NOS3 P29474 2/20 0.49
NOS1 P29475 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
UTS2R Q9UKP6 1/20 0.46
CNR2 P34972 1/20 0.46
EGFR P00533 2/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 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
SCHEMBL25497370 1.00 L3MBTL1 (0.55) L3MBTL1KMT2APOLBALDH1A1CYP1A2
SCHEMBL25498168 0.89 L3MBTL1 (0.53) L3MBTL1KMT2APOLBALDH1A1TAS1R3
SCHEMBL25497364 0.87 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL31389139 0.87 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL25497906 0.87 TAS1R3 (0.61) L3MBTL1KMT2APOLBALDH1A1MAPK1
SCHEMBL25497691 0.87 TAS1R3 (0.68) L3MBTL1KMT2APOLBCYP1A2MAPK1
SCHEMBL25497369 0.86 NOS2 (0.59) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL31389137 0.86 NOS2 (0.59) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL10337447 0.85 L3MBTL1 (0.52) L3MBTL1KMT2APOLBALDH1A1MAPK1
SCHEMBL10337445 0.85 L3MBTL1 (0.52) L3MBTL1KMT2APOLBALDH1A1MAPK1

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 claimed
US-20250024871-A1 AMIDE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2025-01-23 US disclosed