SCHEMBL26046367

SCHEMBL26046367

COc1cccc(/C=C/C(C)=O)c1CO

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
NFE2L2 Q16236 4/20 0.53
TFEB P19484 1/20 0.51
IAPP P10997 1/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
BCHE P06276 1/20 0.47
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TLR2 O60603 1/20 0.45
ERN1 O75460 1/20 0.45
TLR1 Q15399 1/20 0.45
TLR6 Q9Y2C9 1/20 0.45
BACE1 P56817 1/20 0.45
LY96 Q9Y6Y9 1/20 0.44
NR1H4 Q96RI1 2/20 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
SCHEMBL26046298 0.88 KDM4E (0.61) KDM4ENFE2L2TFEBMAPTLMNA
SCHEMBL26046447 0.81 NFE2L2 (0.43) KDM4ENFE2L2TFEBMAPTNPC1
SCHEMBL26046397 0.81 KDM4E (0.53) KDM4ENFE2L2IAPPMAPTLMNA
SCHEMBL26046395 0.81 KDM4E (0.53) KDM4ENFE2L2LMNANPC1RAB9A
SCHEMBL29372147 0.80 KDM4E (1.00) KDM4ENFE2L2TFEBMAPTLMNA
SCHEMBL644526 0.80 KDM4E (1.00) KDM4ENFE2L2TFEBMAPTLMNA
SCHEMBL644527 0.80 KDM4E (1.00) KDM4ENFE2L2TFEBMAPTLMNA
SCHEMBL26046375 0.80 IAPP (0.65) KDM4ENFE2L2IAPPMAPTLMNA
SCHEMBL11260285 0.80 KDM4E (0.73) KDM4ENFE2L2TFEBIAPPMAPT
SCHEMBL11260283 0.80 KDM4E (0.73) KDM4ENFE2L2TFEBIAPPMAPT

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