SCHEMBL31389153

SCHEMBL31389153

CCOC(=O)[C@@H](NC(=O)c1cccc(OC)c1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.61
TAS1R1 Q7RTX1 2/20 0.61
ALDH1A1 P00352 5/20 0.55
HTT P42858 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
THRB P10828 1/20 0.52
GPR139 Q6DWJ6 4/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 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
SCHEMBL21274451 0.84 NPC1 (0.60) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL21274453 0.84 NPC1 (0.60) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL31389160 0.84 NPSR1 (0.60) TAS1R3TAS1R1ALDH1A1HTTKDM4E
SCHEMBL9465077 0.82 POLB (0.57) TAS1R3TAS1R1ALDH1A1HTTKDM4E
SCHEMBL9465072 0.82 POLB (0.57) TAS1R3TAS1R1ALDH1A1HTTKDM4E
SCHEMBL30098882 0.80 TAS1R3 (0.68) TAS1R3TAS1R1ALDH1A1KDM4EMEN1
SCHEMBL810651 0.80 TAS1R3 (0.55) TAS1R3TAS1R1ALDH1A1HTTKDM4E
SCHEMBL381132 0.80 TAS1R3 (0.68) TAS1R3TAS1R1ALDH1A1KDM4EMEN1
SCHEMBL24175859 0.80 TAS1R3 (0.68) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL21274338 0.80 TAS1R3 (0.61) TAS1R3TAS1R1ALDH1A1GPR139NPC1

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