SCHEMBL31389129

SCHEMBL31389129

CCOC(=O)[C@@H](NC(=O)/C=C/c1ccc(OCC)cc1)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.69
TAS1R1 Q7RTX1 6/20 0.69
EGFR P00533 1/20 0.52
MAOB P27338 3/20 0.51
NOS3 P29474 3/20 0.51
NOS1 P29475 3/20 0.51
NOS2 P35228 3/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC5A1 P13866 1/20 0.49
SLC5A2 P31639 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL31389128 0.90 TAS1R3 (0.66) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL25497558 0.90 TAS1R3 (0.66) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL31389136 0.86 TDP1 (0.56) TAS1R3TAS1R1EGFRNOS3NOS1
SCHEMBL703282 0.82 TAS1R3 (1.00) TAS1R3TAS1R1EGFRMAOBNPC1
SCHEMBL703281 0.82 TAS1R3 (1.00) TAS1R3TAS1R1EGFRMAOBNPC1
SCHEMBL701223 0.80 TAS1R3 (0.78) TAS1R3TAS1R1EGFRMAOBNPC1
SCHEMBL701222 0.80 TAS1R3 (0.78) TAS1R3TAS1R1EGFRMAOBNPC1
SCHEMBL25497906 0.80 TAS1R3 (0.61) TAS1R3TAS1R1EGFRMAOBNPC1
SCHEMBL31482428 0.78 TAS1R3 (0.69) TAS1R3TAS1R1EGFRMAOBNPC1
SCHEMBL25497905 0.78 NOS2 (0.64) TAS1R3TAS1R1EGFRMAOBNOS3

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