SCHEMBL26046396

SCHEMBL26046396

CC(=O)/C=C/c1ccc(O)c(O)c1O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IAPP P10997 5/20 0.70
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
MAOB P27338 1/20 0.53
PTGS1 P23219 1/20 0.52
APP P05067 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL26046362 0.82 IAPP (1.00) IAPPLMNAMAPTPTGS1KDM4E
SCHEMBL7177478 0.82 IAPP (1.00) IAPPLMNAMAPTPTGS1KDM4E
SCHEMBL89143 0.82 CA1 (0.57) IAPPLMNAMAPTMAOBAPP
SCHEMBL89145 0.82 CA1 (0.57) IAPPLMNAMAPTMAOBAPP
SCHEMBL26046384 0.80 IAPP (0.56) IAPPLMNAMAPTMAOBPTGS1
SCHEMBL18503016 0.80 IAPP (0.56) IAPPLMNAMAPTMAOBPTGS1
SCHEMBL18509177 0.80 IAPP (0.56) IAPPLMNAMAPTPTGS1APP
SCHEMBL8965182 0.80 IAPP (0.54) IAPPMAPTMAOBAPP
SCHEMBL8965190 0.80 IAPP (0.54) IAPPMAPTMAOBAPP
SCHEMBL26046382 0.78 KDM4E (0.60) IAPPLMNAMAPTAPPKDM4E

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