SCHEMBL26046422

SCHEMBL26046422

CC(=O)CCc1ccc(O)c(O)c1CO

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 4/20 0.57
▸ PRKCI P41743 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL26046352 0.84 POLB (0.45) IAPPCTSKALDH1A1POLBSMN1; SMN2
SCHEMBL26046416 0.82 IAPP (0.45) IAPPPRKCIALDH1A1PKMLMNA
SCHEMBL26046412 0.82 IAPP (0.70) IAPPPRKCIALDH1A1LMNA
SCHEMBL26046414 0.81 IAPP (0.44) IAPPALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL26046400 0.79 IAPP (0.67) IAPPALDH1A1PKMLMNAPOLB
SCHEMBL26046465 0.78 PRKCI (0.49) IAPPPRKCIALDH1A1HTT
SCHEMBL28606012 0.75 IAPP (0.61) IAPPPRKCIALDH1A1LMNAPOLB
SCHEMBL25307580 0.73 IAPP (0.53) IAPPPRKCIALDH1A1LMNAPOLB
SCHEMBL29131809 0.73 IAPP (0.58) IAPPPRKCI
SCHEMBL26046392 0.73 IAPP (1.00) IAPPALDH1A1LMNAHTTSMN1; SMN2

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
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