SCHEMBL25387992

SCHEMBL25387992

Cc1ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc1C

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.73
TAS1R1 Q7RTX1 4/20 0.73
CA2 P00918 4/20 0.56
CA1 P00915 3/20 0.56
NPSR1 Q6W5P4 1/20 0.55
PPARG P37231 2/20 0.49
PPARA Q07869 1/20 0.49
DGAT1 O75907 1/20 0.48
CSGALNACT1 Q8TDX6 1/20 0.47
ERAP2 Q6P179 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
LNPEP Q9UIQ6 1/20 0.46
KMT2A Q03164 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45

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
SCHEMBL31611773 1.00 TAS1R3 (0.73) TAS1R3TAS1R1CA2CA1NPSR1
SCHEMBL31169556 1.00 TAS1R3 (0.73) TAS1R3TAS1R1CA2CA1NPSR1
SCHEMBL3100423 0.87 TAS1R3 (0.57) TAS1R3TAS1R1CA2CA1NPSR1
SCHEMBL3105594 0.87 TAS1R3 (0.57) TAS1R3TAS1R1CA2CA1NPSR1
SCHEMBL4201327 0.84 TAS1R3 (1.00) TAS1R3TAS1R1NPSR1KMT2A
SCHEMBL4201323 0.84 TAS1R3 (1.00) TAS1R3TAS1R1NPSR1KMT2A
SCHEMBL31389163 0.84 TAS1R3 (1.00) TAS1R3TAS1R1NPSR1KMT2A
SCHEMBL31389126 0.82 TAS1R3 (0.79) TAS1R3TAS1R1NPSR1
SCHEMBL4682406 0.81 CA2 (0.65) CA2CA1NPSR1PPARGPPARA
SCHEMBL4682399 0.81 CA2 (0.65) CA2CA1NPSR1PPARGPPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4456737-A1 AMIDE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS Firmenich Incorporated (US) 2024-11-06 EP disclosed
WO-2023172372-A1 AMIDE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2023-09-14 WO disclosed
WO-2023172372-A1 AMIDE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2023-09-14 WO disclosed