SCHEMBL31389134

SCHEMBL31389134

COC(=O)[C@@H](NC(=O)c1ccc(OC)c(OC)c1)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.68
TAS1R1 Q7RTX1 5/20 0.68
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
BCL2L1 Q07817 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.50

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
SCHEMBL26148923 1.00 TAS1R3 (0.68) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL15595954 0.86 ALDH1A1 (0.57) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL26148924 0.86 TAS1R3 (0.63) TAS1R3TAS1R1ALDH1A1LMNAHPGD
SCHEMBL31389146 0.86 TAS1R3 (0.63) TAS1R3TAS1R1ALDH1A1LMNAHPGD
SCHEMBL13761341 0.84 ALDH1A1 (0.68) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL3145120 0.84 MAPK1 (0.62) TAS1R3TAS1R1ALDH1A1LMNABCL2L1
SCHEMBL28637679 0.84 MAPK1 (0.62) TAS1R3TAS1R1ALDH1A1LMNABCL2L1
Hydrochloric Acid SCHEMBL9638417 0.83 ALDH1A1 (0.66) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL810644 0.81 TAS1R3 (0.69) TAS1R3TAS1R1ALDH1A1BCL2L1CYP2C9
SCHEMBL31389163 0.81 TAS1R3 (1.00) TAS1R3TAS1R1ALDH1A1BCL2L1CYP2C9

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