Tomenphantin A

Tomenphantin A

SCHEMBL27945189

C=C(C)C(=O)OC1CC(CO)=CCCC2(C)OC2C2OC(=O)C(=C)C12

nearest known ligand 0.65

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.61
▸ FNTB P49356 1/20 0.61
▸ PGGT1B P53609 1/20 0.61
▸ PKM P14618 14/20 0.59
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ PTGS2 P35354 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44

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
Tomenphantin A SCHEMBL6484758 1.00 FNTA (0.61) FNTAFNTBPGGT1BPKMKDM4E
Tomenphantin A SCHEMBL30039069 1.00 FNTA (0.61) FNTAFNTBPGGT1BPKMKDM4E
SCHEMBL28254414 0.79 FNTA (0.92) FNTAFNTBPGGT1BPKMKDM4E
Elephantopin SCHEMBL8401219 0.76 GPX4 (0.62) FNTAFNTBPGGT1BPKMKDM4E
Elephantopin SCHEMBL30350210 0.76 GPX4 (0.62) FNTAFNTBPGGT1BPKMKDM4E
Melampomagnolide B SCHEMBL16706262 0.75 PKM (1.00) PKMNPC1MAPTHTTRAB9A
Melampomagnolide B SCHEMBL30081323 0.75 PKM (1.00) PKMNPC1MAPTHTTRAB9A
Melampomagnolide B SCHEMBL16229963 0.75 PKM (1.00) PKMNPC1MAPTHTTRAB9A
Melampomagnolide B SCHEMBL16922753 0.75 PKM (1.00) PKMNPC1MAPTHTTRAB9A
Melampomagnolide B SCHEMBL4761798 0.75 PKM (1.00) PKMNPC1MAPTHTTRAB9A

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
CN-103408562-A Preparation method of elephantopin A NANJING ZELANG MEDICAL TECH CO 2013-11-27 — — CN disclosed
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