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Cucurbitacin E

Cucurbitacin E

SCHEMBL29908892

CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C.CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 3/20 0.84
▸ SMN1; SMN2 Q16637 2/20 0.84
▸ HIF1A Q16665 2/20 0.84
▸ IGF2BP1 Q9NZI8 2/20 0.84
▸ NPC1 O15118 2/20 0.84
▸ RAB9A P51151 2/20 0.84
▸ LMNA P02545 1/20 0.84
▸ MAPT P10636 1/20 0.84
▸ STAT3 P40763 1/20 0.84
▸ HTT P42858 1/20 0.84
▸ ATM Q13315 1/20 0.84
▸ PAX8 Q06710 2/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ KMT2A Q03164 1/20 0.55
▸ ACHE P22303 2/20 0.51
▸ TYR P14679 1/20 0.43
▸ PTPN1 P18031 2/20 0.40

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
Cucurbitacin E SCHEMBL22878009 0.93 ITGAL (0.83) ITGALSMN1; SMN2HIF1AIGF2BP1NPC1
Cucurbitacin E SCHEMBL140616 0.93 ITGAL (0.83) ITGALSMN1; SMN2HIF1AIGF2BP1NPC1
Cucurbitacin E SCHEMBL10013363 0.93 ITGAL (0.83) ITGALSMN1; SMN2HIF1AIGF2BP1NPC1
Cucurbitacin E SCHEMBL27783763 0.93 ITGAL (0.83) ITGALSMN1; SMN2HIF1AIGF2BP1NPC1
Cucurbitacin E SCHEMBL20121528 0.93 ITGAL (0.83) ITGALSMN1; SMN2HIF1AIGF2BP1NPC1
Amarin SCHEMBL17531553 0.92 ITGAL (1.00) ITGALSMN1; SMN2HIF1AIGF2BP1NPC1
Amarin SCHEMBL20121442 0.92 ITGAL (1.00) ITGALSMN1; SMN2HIF1AIGF2BP1NPC1
Amarin SCHEMBL22433345 0.92 ITGAL (1.00) ITGALSMN1; SMN2HIF1AIGF2BP1NPC1
Amarin SCHEMBL18177462 0.92 ITGAL (1.00) ITGALSMN1; SMN2HIF1AIGF2BP1NPC1
Cucurbitacin B SCHEMBL29602393 0.92 ITGAL (1.00) ITGALSMN1; SMN2HIF1AIGF2BP1NPC1

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-2022177967-A1 REMYELINATION THERAPY BY TARGETING ADGRG1 AND ITS EFFECTORS IN OLIGODENDROCYTES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-08-25 — — WO disclosed