SCHEMBL26046404

SCHEMBL26046404

CC(=O)CCc1ccc(O)cc1CO

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IAPP P10997 1/20 0.46
ALDH1A1 P00352 1/20 0.40
CHRNA7 P36544 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL26046348 0.84 POLB (0.50) CHRNA7
SCHEMBL6160355 0.81 IAPP (0.53) IAPPALDH1A1CHRNA7
SCHEMBL26046393 0.81 TYR (0.63)
SCHEMBL30337626 0.80 IAPP (0.47) IAPPALDH1A1
SCHEMBL14747983 0.80 IAPP (0.47) IAPPALDH1A1
SCHEMBL27553396 0.79 IAPP (0.46) IAPPALDH1A1CHRNA7
SCHEMBL1404941 0.79 CHRNA7 (0.62) IAPPCHRNA7
SCHEMBL7234435 0.79 IAPP (0.46) IAPPALDH1A1CHRNA7
SCHEMBL26046405 0.78 LMNA (0.56) ALDH1A1PKM
SCHEMBL18044777 0.77 TYR (0.50)

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