SCHEMBL20883232

SCHEMBL20883232

O=C(O)C1(O)C[C@@H](O)C[C@H](O)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.32
GRM8 O00222 2/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
CYP2C19 P33261 3/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM6 O15303 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
SLC6A4 P31645 1/20 0.30

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
SCHEMBL11769509 1.00 GRM4 (0.32) GRM4GRM8GRM2GRM3CYP2C19
SCHEMBL28264910 0.89
SCHEMBL25475447 0.89
SCHEMBL637613 0.77 FFAR3 (0.48) GRM4GRM8GRM2GRM3CYP2C19
SCHEMBL16079341 0.76 APLNR (0.35) GRM4GRM8GRM2GRM3CYP2C19
SCHEMBL9792861 0.75 GRM4 (0.33) GRM4GRM8GRM2GRM3CYP2C19
SCHEMBL10415633 0.75 GRM4 (0.33) GRM4GRM8GRM2GRM3CYP2C19
Quinic Acid SCHEMBL19490687 0.74 HSD17B10 (0.39) ALDH1A1TDP1CYP2C9KDM4E
Quinic Acid SCHEMBL1286207 0.74 HSD17B10 (0.39) ALDH1A1TDP1CYP2C9KDM4E
Quinic Acid SCHEMBL39555 0.74 HSD17B10 (0.39) ALDH1A1TDP1CYP2C9KDM4E

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
WO-2022266668-A1 SENSORY MODIFIERS FOR PROTEIN COMPOSITIONS CARGILL, INCORPORATED (US) 2022-12-22 WO disclosed
WO-2020210161-A1 METHODS FOR MAKING BOTANICAL EXTRACT COMPOSITION CARGILL, INCORPORATED (US) 2020-10-15 WO disclosed
WO-2019071187-A1 STABILIZED STEVIOL GLYCOSIDE COMPOSITIONS AND USES THEREOF CARGILL, INCORPORATED (US) 2019-04-11 WO disclosed