Rubrofusarin B

Rubrofusarin B

SCHEMBL29779134

COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 1.00
PTGS1 P23219 6/20 0.64
PTGS2 P35354 6/20 0.64
HIF1A Q16665 3/20 0.63
EPAS1 Q99814 3/20 0.63
EPHX2 P34913 1/20 0.58
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
Rubrofusarin B SCHEMBL16227248 1.00 XDH (1.00) XDHPTGS1PTGS2HIF1AEPAS1
SCHEMBL15060666 0.88 XDH (0.79) XDHPTGS1PTGS2HIF1AEPAS1
Rubrofusarin SCHEMBL486101 0.88 XDH (0.79) XDHPTGS1PTGS2HIF1AEPAS1
SCHEMBL8860356 0.85 XDH (0.74) XDHPTGS1PTGS2HIF1AEPAS1
SCHEMBL8833383 0.83 XDH (0.70) XDHPTGS1PTGS2KDM4ELMNA
SCHEMBL16226550 0.83 XDH (0.70) XDHPTGS1PTGS2HIF1AEPAS1
Aurasperone A SCHEMBL29779131 0.80 XDH (0.80) XDHPTGS1PTGS2HIF1AEPAS1
SCHEMBL8860230 0.80 XDH (0.67) XDHPTGS1PTGS2HIF1AEPAS1
Asperpyrone C SCHEMBL29779200 0.80 XDH (0.73) XDHPTGS1PTGS2HIF1AEPAS1
SCHEMBL16226658 0.79 ABCG2 (0.66) XDHPTGS1PTGS2HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114848628-B Application of naphtho gamma-pyrone compounds in preparation of anti-helicobacter pylori medicines or health care products 暨南大学 2023-07-25 CN disclosed
CN-114848628-A Application of naphtho-gamma-pyrone compounds in preparation of anti-helicobacter pylori medicines or prevention health-care products 暨南大学 2022-08-05 CN disclosed
CN-113444644-B Application of naphtho-gamma-pyrone compounds in preparation of anti-helicobacter pylori medicines or prevention health-care products 暨南大学 2022-07-19 CN disclosed