SCHEMBL26046375

SCHEMBL26046375

CC(=O)/C=C/c1cccc(O)c1CO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 5/20 0.65
MAPT P10636 2/20 0.64
LMNA P02545 1/20 0.64
KDM4E B2RXH2 2/20 0.46
NFKB1 P19838 2/20 0.44
JUN P05412 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
GLA P06280 1/20 0.42
PTGS1 P23219 1/20 0.41
BCHE P06276 1/20 0.40
GUSB P08236 1/20 0.40
ERN1 O75460 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL26046303 0.85 NFKB1 (0.62) IAPPMAPTLMNAKDM4ENFKB1
SCHEMBL18503016 0.80 IAPP (0.56) IAPPMAPTLMNAKDM4ETDP1
SCHEMBL26046384 0.80 IAPP (0.56) IAPPMAPTLMNAKDM4ETDP1
SCHEMBL26046367 0.80 KDM4E (0.67) IAPPMAPTLMNAKDM4ENFE2L2
SCHEMBL8848033 0.79 IAPP (0.66) IAPPMAPTLMNANFKB1JUN
SCHEMBL8848036 0.79 IAPP (0.66) IAPPMAPTLMNANFKB1JUN
SCHEMBL13845332 0.79 IAPP (0.38) IAPPMAPTLMNAKDM4ENFKB1
SCHEMBL7177478 0.79 IAPP (1.00) IAPPMAPTLMNAKDM4ENFKB1
SCHEMBL26046362 0.79 IAPP (1.00) IAPPMAPTLMNAKDM4ENFKB1
SCHEMBL1404928 0.78 MAPT (1.00) IAPPMAPTLMNAKDM4ENFKB1

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