Lapachol

Lapachol

SCHEMBL7362189

CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O.CCOCC

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
DHODH Q02127 5/20 0.67
ALDH1A1 P00352 5/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
PKM P14618 4/20 0.67
KDM4E B2RXH2 3/20 0.67
TP53 P04637 1/20 0.67
CYP3A4 P08684 1/20 0.67
CDC25A P30304 1/20 0.67
CDC25B P30305 1/20 0.67
RPS6KA3 P51812 1/20 0.67
GLO1 Q04760 1/20 0.67
GPR35 Q9HC97 1/20 0.67
APAF1 O14727 2/20 0.54
TDP2 O95551 2/20 0.54
ATM Q13315 2/20 0.54
NSD2 O96028 1/20 0.54
CYP1A2 P05177 1/20 0.54

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
Lapachol SCHEMBL157255 0.91 DHODH (0.79) MAPTDHODHALDH1A1MEN1KMT2A
Lapachol SCHEMBL31492698 0.91 DHODH (0.79) MAPTDHODHALDH1A1MEN1KMT2A
Lapachol SCHEMBL18769814 0.90 DHODH (0.77) MAPTDHODHALDH1A1MEN1KMT2A
Lapachol SCHEMBL3274147 0.90 DHODH (0.77) MAPTDHODHALDH1A1MEN1KMT2A
Lapachol SCHEMBL18037006 0.84 DHODH (0.68) MAPTDHODHALDH1A1MEN1KMT2A
Lapachol SCHEMBL28491462 0.82 DHODH (0.65) MAPTDHODHALDH1A1MEN1KMT2A
SCHEMBL157256 0.80 DHODH (1.00) MAPTDHODHALDH1A1MEN1KMT2A
SCHEMBL20811074 0.79 DHODH (0.70) MAPTDHODHALDH1A1MEN1KMT2A
SCHEMBL14236459 0.79 DHODH (0.66) MAPTDHODHALDH1A1MEN1KMT2A
SCHEMBL974935 0.79 MAPT (0.74) MAPTDHODHALDH1A1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996033988-A1 NOVEL SYNTHESIS AND USE OF BETA-LAPACHONE ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1996-10-31 WO claimed