SCHEMBL21317652

SCHEMBL21317652

COc1c(O)ccc(CCC(=O)O)c1O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.43
▸ IAPP P10997 2/20 0.41
▸ TRPV1 Q8NER1 2/20 0.41
▸ PRKCI P41743 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL21317651 0.88 POLB (0.58) POLBNPSR1IAPPTRPV1FFAR1
SCHEMBL21317655 0.88 POLB (0.61) POLBNPSR1TRPV1FFAR1ALDH1A1
SCHEMBL21317656 0.87 TDP1 (0.54) POLBNPSR1FFAR1ALDH1A1GAA
SCHEMBL29999191 0.87 TDP1 (0.54) POLBNPSR1FFAR1ALDH1A1GAA
SCHEMBL26046421 0.86 IAPP (0.57) POLBIAPPTRPV1PRKCIALDH1A1
SCHEMBL10009025 0.84 GAA (0.47) POLBNPSR1TRPV1ALDH1A1GAA
SCHEMBL26046355 0.82 POLB (0.55) POLBNPSR1TRPV1FFAR1ALDH1A1
SCHEMBL3650723 0.81 TRPV1 (0.40) POLBTRPV1ALDH1A1
SCHEMBL26046466 0.80 PRKCI (0.51) IAPPTRPV1PRKCI
SCHEMBL21317653 0.80 POLB (0.53) POLBNPSR1FFAR1GAATDP1

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 8 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-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
US-11739354-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-08-29 — — US disclosed
US-20220002769-A1 ENZYMATIC SYNTHESIS OF KAVALACTONES AND FLAVOKAVAINS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-06 — — US disclosed
US-20220002768-A1 ENZYMATIC SYNTHESIS OF KAVALACTONES AND FLAVOKAVAINS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-06 — — US disclosed
US-10941429-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2021-03-09 — — US disclosed
US-20190271015-A1 ENZYMATIC SYNTHESIS OF KAVALACTONES AND FLAVOKAVAINS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2019-09-05 — — US disclosed
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