Xanthogalenol

Xanthogalenol

SCHEMBL4837282

COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O)c1CC=C(C)C

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.84
TTR P02766 1/20 0.84
ALOX5 P09917 1/20 0.84
ABCB1 P08183 13/20 0.73
MEN1 O00255 1/20 0.69
LMNA P02545 1/20 0.69
MAPT P10636 1/20 0.69
MAOB P27338 1/20 0.69
KMT2A Q03164 1/20 0.69
MGAM O43451 1/20 0.64
NFKB1 P19838 1/20 0.59
DPP4 P27487 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
PTPN1 P18031 1/20 0.58
DHODH Q02127 1/20 0.58

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
Xanthogalenol SCHEMBL30259154 1.00 PDPK1 (0.84) PDPK1TTRALOX5ABCB1MEN1
Xanthogalenol SCHEMBL4837290 1.00 PDPK1 (0.84) PDPK1TTRALOX5ABCB1MEN1
SCHEMBL144848 0.92 ABCB1 (0.85) PDPK1TTRALOX5ABCB1MEN1
Xanthohumol SCHEMBL738122 0.91 PDPK1 (1.00) PDPK1TTRALOX5ABCB1MEN1
Xanthohumol SCHEMBL143683 0.91 PDPK1 (1.00) PDPK1TTRALOX5ABCB1MEN1
Xanthohumol SCHEMBL30169731 0.91 PDPK1 (1.00) PDPK1TTRALOX5ABCB1MEN1
SCHEMBL26539037 0.87 PDPK1 (0.93) PDPK1TTRALOX5ABCB1MEN1
SCHEMBL30630210 0.87 PDPK1 (0.93) PDPK1TTRALOX5ABCB1MEN1
Demethylxanthohumol SCHEMBL31051585 0.87 MGAM (0.81) PDPK1TTRALOX5ABCB1MEN1
Demethylxanthohumol SCHEMBL1023989 0.87 MGAM (0.81) PDPK1TTRALOX5ABCB1MEN1

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-7326734-B2 Treatment of bladder and urinary tract cancers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-02-05 US claimed
US-7326734-B2 Treatment of bladder and urinary tract cancers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-02-05 US disclosed