SCHEMBL26046465

SCHEMBL26046465

CCCc1ccc(O)c(O)c1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.49
▸ TYR P14679 3/20 0.41
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ ALOX5 P09917 2/20 0.38
▸ ELANE P08246 1/20 0.37
▸ CTSG P08311 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HMGCR P04035 1/20 0.36
▸ IAPP P10997 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL5588615 0.88 PRKCI (0.52) PRKCITYRCNR1CNR2ALOX5
SCHEMBL5680757 0.86 PRKCI (0.50) PRKCITYRCNR1CNR2ALOX5
Hydrochloric Acid SCHEMBL21409697 0.86 PRKCI (0.50) PRKCITYRCNR1CNR2ALOX5
SCHEMBL9153690 0.86 PRKCI (0.42) PRKCITYRCNR1CNR2ALOX5
SCHEMBL5676407 0.82 TYR (0.51) PRKCITYRALOX5ELANECTSG
SCHEMBL5676392 0.81 TYR (0.59) PRKCITYRALOX5KDM4EALDH1A1
SCHEMBL5677097 0.79 PRKCI (0.45) PRKCITYRCNR1CNR2ALOX5
SCHEMBL5195485 0.79 TYR (0.52) PRKCITYRCNR1CNR2ALOX5
SCHEMBL5445936 0.79 PRKCI (0.60) PRKCITYRCNR1CNR2ALOX5
SCHEMBL28593783 0.79 PRKCI (0.37) PRKCITYRALOX5ELANECTSG

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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