SCHEMBL26046358

SCHEMBL26046358

COc1ccc(CCC(=O)O)c(CO)c1O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ HPGD P15428 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ FFAR1 O14842 4/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALOX5 P09917 2/20 0.38
▸ PTGES O14684 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LTB4R Q15722 1/20 0.38
▸ LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL26046414 0.88 IAPP (0.44) POLBHPGDLMNAMCL1HSD17B10
SCHEMBL11724939 0.84 HSD17B10 (0.51) POLBHPGDLMNAMCL1HSD17B10
SCHEMBL21317654 0.84 POLB (0.55) POLBHPGDLMNAFFAR1FFAR4
SCHEMBL21317653 0.81 POLB (0.53) POLBHPGDLMNAFFAR1FFAR4
SCHEMBL29452317 0.81 HMGCR (0.47) HPGDLMNAMCL1HSD17B10ALOX5
SCHEMBL26046491 0.81 HMGCR (0.47) HPGDLMNAMCL1HSD17B10ALOX5
SCHEMBL26046334 0.80 LMNA (0.47) POLBHPGDLMNAFFAR1NPSR1
SCHEMBL26046355 0.80 POLB (0.55) POLBFFAR1FFAR4GAANPSR1
SCHEMBL26046352 0.79 POLB (0.45) POLBHPGDFFAR1FFAR4HSD17B10
SCHEMBL21317656 0.78 TDP1 (0.54) POLBLMNAFFAR1FFAR4HSD17B10

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
Send feedback