E-Guggulsterone

E-Guggulsterone

SCHEMBL12153588

C/C=C1\C(=O)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CCC12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ HSD17B10 Q99714 6/20 1.00
▸ ALDH1A1 P00352 5/20 1.00
▸ NR3C1 P04150 5/20 1.00
▸ PGR P06401 5/20 1.00
▸ CYP3A4 P08684 5/20 1.00
▸ TSHR P16473 5/20 1.00
▸ AR P10275 4/20 1.00
▸ MAPK1 P28482 4/20 1.00
▸ MAPT P10636 3/20 1.00
▸ BLM P54132 3/20 1.00
▸ PMP22 Q01453 3/20 1.00
▸ NPSR1 Q6W5P4 3/20 1.00
▸ NR1I2 O75469 2/20 1.00
▸ NR3C2 P08235 2/20 1.00
▸ NR1H4 Q96RI1 2/20 1.00
▸ HIF1A Q16665 2/20 1.00
▸ CYP2C9 P11712 2/20 1.00
▸ CYP2C19 P33261 2/20 1.00
▸ ESR1 P03372 1/20 1.00

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
E-Guggulsterone SCHEMBL7860363 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL13327483 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL13304392 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL14193742 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL1650063 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL258031 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL177528 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL177786 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL12858540 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
Guggulsterone SCHEMBL141657 1.00 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR

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-20150342233-A1 REDUCED SODIUM FOOD PRODUCTS GEN MILLS INC (US) 2015-12-03 — — US disclosed
EP-1620455-B1 PROCESS FOR PREPARING GUGGULSTERONES AND GUGGULSTEROL SEOUL NAT UNIV IND FOUNDATION (KR) 2011-11-30 — — EP disclosed
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