SCHEMBL26046352

SCHEMBL26046352

O=C(O)CCc1ccc(O)c(O)c1CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSPA1A P0DMV8 1/20 0.40
HSPA8 P11142 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
BRCA1 P38398 1/20 0.40
STAT6 P42226 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IAPP P10997 3/20 0.39
KEAP1 Q14145 1/20 0.38
FFAR1 O14842 2/20 0.36
HDAC3 O15379 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL26046422 0.84 IAPP (0.57) POLBALDH1A1IAPPSMN1; SMN2CTSK
SCHEMBL490950 0.81 POLB (0.50) POLBNPSR1IAPP
SCHEMBL26046355 0.80 POLB (0.55) POLBNPSR1ALDH1A1FFAR1FFAR4
SCHEMBL1077642 0.80 POLB (0.41) POLBNPSR1ALDH1A1HSPA1AHSPA8
SCHEMBL26046358 0.79 POLB (0.50) POLBNPSR1HPGDALOX15HSD17B10
SCHEMBL26046345 0.79 IAPP (0.46) POLBNPSR1IAPPKEAP1FFAR1
SCHEMBL26046465 0.76 PRKCI (0.49) ALDH1A1HPGDALOX15HSD17B10IAPP
SCHEMBL3735869 0.74 POLB (0.58) POLBALDH1A1KEAP1FFAR1FFAR4
SCHEMBL21317651 0.72 POLB (0.58) POLBNPSR1ALDH1A1IAPPFFAR1
SCHEMBL244943 0.72 IAPP (0.70) POLBNPSR1IAPPKEAP1FFAR1

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