SCHEMBL26046362

SCHEMBL26046362

CC(=O)/C=C/c1cccc(O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 5/20 1.00
LMNA P02545 1/20 0.72
MAPT P10636 1/20 0.72
ERN1 O75460 1/20 0.59
BACE1 P56817 1/20 0.55
KDM4E B2RXH2 1/20 0.51
NFKB1 P19838 2/20 0.50
ALOX5 P09917 1/20 0.50
JUN P05412 1/20 0.50
NFE2L2 Q16236 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
RELA Q04206 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
GLA P06280 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7177478 1.00 IAPP (1.00) IAPPLMNAMAPTERN1BACE1
SCHEMBL29428452 0.84 MAPT (1.00) IAPPLMNAMAPTKDM4ENFKB1
SCHEMBL1404929 0.84 MAPT (1.00) IAPPLMNAMAPTKDM4ENFKB1
SCHEMBL1404928 0.84 MAPT (1.00) IAPPLMNAMAPTKDM4ENFKB1
SCHEMBL29377511 0.84 MAPT (1.00) IAPPLMNAMAPTKDM4ENFKB1
SCHEMBL1404990 0.83 IAPP (0.71) IAPPLMNAMAPTBACE1KDM4E
SCHEMBL1404989 0.83 IAPP (0.71) IAPPLMNAMAPTBACE1KDM4E
SCHEMBL307296 0.82 NFKB1 (0.71) IAPPLMNAMAPTERN1BACE1
SCHEMBL31083592 0.82 NFKB1 (0.71) IAPPLMNAMAPTERN1BACE1
SCHEMBL31256670 0.82 NFKB1 (0.71) IAPPLMNAMAPTERN1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746364-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-09-05 US disclosed
US-11739354-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-08-29 US disclosed