SCHEMBL31389142

SCHEMBL31389142

CCOC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(OC)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.73
NOS2 P35228 5/20 0.63
ALDH1A1 P00352 3/20 0.63
TAS1R3 Q7RTX0 1/20 0.63
TAS1R1 Q7RTX1 1/20 0.63
CNR1 P21554 1/20 0.61
NOS3 P29474 2/20 0.61
NOS1 P29475 2/20 0.61
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
TAOK1 Q7L7X3 1/20 0.59
TAOK3 Q9H2K8 1/20 0.59
KDM4E B2RXH2 2/20 0.57
CAPN1 P07384 1/20 0.56
MAPT P10636 1/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
STAT1 P42224 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL25498072 1.00 CNR2 (0.73) CNR2NOS2ALDH1A1TAS1R3TAS1R1
SCHEMBL27093056 0.92 CNR2 (0.65) CNR2NOS2ALDH1A1TAS1R3TAS1R1
SCHEMBL27093055 0.92 CNR2 (0.65) CNR2NOS2ALDH1A1TAS1R3TAS1R1
SCHEMBL13002013 0.89 CNR2 (0.69) CNR2NOS2ALDH1A1TAS1R3TAS1R1
SCHEMBL25497685 0.86 NOS2 (0.67) CNR2NOS2ALDH1A1TAS1R3TAS1R1
SCHEMBL25497374 0.85 NOS2 (0.69) CNR2NOS2ALDH1A1NOS3NOS1
SCHEMBL31389148 0.85 NOS2 (0.69) CNR2NOS2ALDH1A1NOS3NOS1
SCHEMBL25497905 0.82 NOS2 (0.64) CNR2NOS2TAS1R3TAS1R1NOS3
SCHEMBL31611746 0.81 PTPN2 (0.66) CNR2NOS2ALDH1A1TAS1R3TAS1R1
SCHEMBL31452781 0.81 NOS2 (0.69) CNR2NOS2ALDH1A1TAS1R3TAS1R1

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