SCHEMBL490405

SCHEMBL490405

COc1ccc(CCC(=O)O)c(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.53
POLB P06746 2/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL4120081 0.92 AOC3 (0.51) AOC3POLBKDM4EALDH1A1TAAR1
SCHEMBL4131942 0.89 AOC3 (0.49) AOC3POLBKDM4EALDH1A1TAAR1
SCHEMBL27946009 0.88 AOC3 (0.54) AOC3POLBKDM4EALDH1A1TAAR1
SCHEMBL4143173 0.87 AOC3 (0.48) AOC3POLBKDM4EALDH1A1TAAR1
SCHEMBL29999191 0.87 TDP1 (0.54) AOC3POLBKDM4EALDH1A1TAAR1
SCHEMBL21317653 0.87 POLB (0.53) POLBKDM4ETDP1GAAMAPT
SCHEMBL21317656 0.87 TDP1 (0.54) AOC3POLBKDM4EALDH1A1TAAR1
SCHEMBL10753457 0.86 AOC3 (0.53) AOC3POLBKDM4EALDH1A1TAAR1
SCHEMBL4019177 0.85 POLB (0.48) POLBLMNAHPGDNPSR1CTSG
SCHEMBL4013922 0.85 POLB (0.51) POLBLMNAHPGDFFAR1FFAR4

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 129 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5631038-A COMPOUNDS (TASTANDS) TO REDUCE OR ELIMINATE A BITTER OR METALLIC TASTE ARE ADDED TO FOODS CONTAINING SODIUM CHLORIDE BIORESEARCH, INC. (US) 1997-05-20 US claimed
US-5631294-A PHENOXY- OR PHENYL-ALKANOIC ACIDS BIORESEARCH, INC. (US) 1997-05-20 US claimed
EP-0727151-A2 Ingestibles containing substantially tasteless sweetness inhibitors as bitter taste reducers or substantially tasteless bitter inhibitors as sweet taste reducers BIORESEARCH, INC. (US) 1996-08-21 EP claimed
EP-0661932-A4 SPECIFIC EATABLE TASTE MODIFIERS. BIORESEARCH INC (US) 1996-06-05 EP claimed
EP-0661932-A1 SPECIFIC EATABLE TASTE MODIFIERS BIORESEARCH, INC. (US) 1995-07-12 EP claimed
WO-1993010677-A1 SPECIFIC EATABLE TASTE MODIFIERS BIORESEARCH, INC. (US) 1993-06-10 WO claimed
EP-0485587-A4 INGESTIBLES CONTAINING SUBSTANTIALLY TASTELESS SWEETNESS INHIBITORS AS BITTER TASTE REDUCERS OR SUBSTANTIALLY TASTELESS BITTER INHIBITORS AS SWEET TASTE REDUCERS 1992-12-02 EP claimed
EP-0485587-A1 INGESTIBLES CONTAINING SUBSTANTIALLY TASTELESS SWEETNESS INHIBITORS AS BITTER TASTE REDUCERS OR SUBSTANTIALLY TASTELESS BITTER INHIBITORS AS SWEET TASTE REDUCERS. BIORESEARCH INC (US) 1992-05-20 EP claimed
WO-1991018523-A1 INGESTIBLES CONTAINING SUBSTANTIALLY TASTELESS SWEETNESS INHIBITORS AS BITTER TASTE REDUCERS OR SUBSTANTIALLY TASTELESS BITTER INHIBITORS AS SWEET TASTE REDUCERS BIORESEARCH, INC. (US) 1991-12-12 WO claimed
EP-0125049-B1 METHOD OF INHIBITING SWEETNESS TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1986-07-30 EP claimed
EP-0125049-A1 Method of inhibiting sweetness TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1984-11-14 EP claimed
US-11739354-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-08-29 US disclosed
US-20220002768-A1 ENZYMATIC SYNTHESIS OF KAVALACTONES AND FLAVOKAVAINS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-06 US disclosed
US-10941429-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2021-03-09 US disclosed
US-20190271015-A1 ENZYMATIC SYNTHESIS OF KAVALACTONES AND FLAVOKAVAINS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2019-09-05 US disclosed
WO-1993010677-A1 SPECIFIC EATABLE TASTE MODIFIERS BIORESEARCH, INC. (US) 1993-06-10 WO disclosed
EP-0386611-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-12 EP disclosed
EP-0125049-B1 METHOD OF INHIBITING SWEETNESS TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1986-07-30 EP disclosed
US-4567053-A Method of inhibiting sweetness TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1986-01-28 US disclosed
EP-0125049-A1 Method of inhibiting sweetness TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1984-11-14 EP disclosed