Celastrol

Celastrol

SCHEMBL14954

CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 1.00
CCR6 P51684 1/20 1.00
PAX8 Q06710 1/20 1.00
TLR9 Q9NR96 1/20 1.00
NR4A1 P22736 7/20 0.84
PTPN1 P18031 1/20 0.83
CASP1 P29466 1/20 0.83
ABHD6 Q9BV23 1/20 0.83
KDM4E B2RXH2 1/20 0.83
TP53 P04637 1/20 0.83
CYP3A4 P08684 1/20 0.83
MAPT P10636 1/20 0.83
HPGD P15428 1/20 0.83
ALOX15 P16050 1/20 0.83
ALOX12 P18054 1/20 0.83
MAPK1 P28482 1/20 0.83
SMN1; SMN2 Q16637 1/20 0.83
TDP1 Q9NUW8 1/20 0.83
TERT O14746 7/20 0.82
HSP90AB1 P08238 5/20 0.75

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
Celastrol SCHEMBL17130559 1.00 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL25510440 1.00 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL15813281 1.00 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL19745423 1.00 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL17430781 1.00 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL18845540 1.00 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL20547678 0.99 HSP90AA1 (0.98) HSP90AA1CCR6PAX8TLR9NR4A1
SCHEMBL12395103 0.93 HSP90AA1 (0.86) HSP90AA1CCR6PAX8TLR9NR4A1
SCHEMBL13287257 0.92 HSP90AA1 (0.86) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL23777521 0.92 HSP90AA1 (0.84) HSP90AA1CCR6PAX8TLR9NR4A1

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

Appears in 4175 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122075411-A Tripterine liposome, its combined medicine and its application in preventing and treating tumor 2026-05-26 CN claimed
CN-117241814-B Combination of myrtle extract and tripterygium wilfordii extract for controlling inflammation caused by propionibacterium acnes 皮埃尔·法布尔皮肤化妆品公司 2026-05-12 CN claimed
CN-122005588-A Pharmaceutical composition containing evodiaoside, drug carrying system and application thereof in osteoarthritis 江苏省中医药研究院(江苏省中西医结合医院) 2026-05-12 CN claimed
US-20260124224-A1 USE OF COMBINED COMPOSITION IN PREPARING DRUG FOR RESISTING FUNGAL AND BACTERIAL INFECTIONS NATIONAL CENTER FOR NANOSCIENCE AND TECHNOLOGY (CN) 2026-05-07 US claimed
WO-2026087695-A1 TREATMENT FOR METABOLIC DISORDER SAPREME TECHNOLOGIES B.V. (NL) 2026-04-30 WO claimed
WO-2026087680-A1 TREATMENT FOR CARDIOVASCULAR DISEASE SAPREME TECHNOLOGIES B.V. (NL) 2026-04-30 WO claimed
EP-4724065-A1 SYNERGISTIC COMPOSITION FOR MODULATING EXPRESSION OF CD38 Celagenex Research (India) Pvt. Ltd. (IN) 2026-04-15 EP claimed
US-20260096569-A1 EDIBLE COATING WITH ANTIMICROBIAL PROPERTIES APEEL TECH INC (US) 2026-04-09 US claimed
EP-4479072-B1 COMPOSITION COMPRISING A MYRTLE EXTRACT AND A TRIPTERYGIUM WILFORDII EXTRACT FOR CONTROLLING ACNE OF NON-LESIONAL AREAS OF ACNEIC SKIN PIERRE FABRE DERMO COSMETIQUE (FR) 2026-03-04 EP claimed
CN-121583384-A Nucleic acid-small molecule non-covalent complex and preparation method and application thereof 上海中医药大学 2026-02-27 CN claimed
EP-1151295-A1 METHODS OF IDENTIFYING THERAPEUTICALLY EFFECTIVE ANTINEOPLASTIC AGENTS WITH CULTURED CELLS HAVING INTACT CELL MEMBRANES AND CORRESPONDING PRODUCTS Cytovia, Inc. (US) 2001-11-07 EP claimed
EP-1098626-A2 METHOD FOR REGULATING HAIR GROWTH UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2001-05-16 EP claimed
WO-2000066080-A1 ANTI-DANDRUFF AND CONDITIONING SHAMPOOS CONTAINING CERTAIN CATIONIC POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2000-11-09 WO claimed
WO-2000066081-A1 ANTI-DANDRUFF AND CONDITIONING SHAMPOOS CONTAINING POLYALKYLENE GLYCOLS AND CATIONIC POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2000-11-09 WO claimed
US-6124362-A TOPICAL ADMINISTRATION OF LUPANE TRITERPENES, DERIVATIVES OF LUPANE TRITERPENES, DERIVATIVES OF OLEANANE TRITERPENES, DERIVATIVES OF URSANE TRITERPENES, AND SALTS THE PROCTER & GAMBLE COMPANY (US) 2000-09-26 US claimed
WO-2000045165-A1 METHODS OF IDENTIFYING THERAPEUTICALLY EFFECTIVE ANTINEOPLASTIC AGENTS WITH CULTURED CELLS HAVING INTACT CELL MEMBRANES AND CORRESPONDING PRODUCTS CYTOVIA, INC. (US) 2000-08-03 WO claimed
WO-2000003749-A2 METHOD FOR REGULATING HAIR GROWTH THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2000-01-27 WO claimed
US-5880116-A ORAL ADMINISTRATION OF CELASTROL OR ESTER PRODRUG NEUROCAL INTERNATIONAL (US) 1999-03-09 US claimed
WO-1998025573-A2 THE USE OF CELASTROL TO TREAT ALZHEIMER'S DISEASE NEUROCAL INTERNATIONAL (US) 1998-06-18 WO claimed
US-4328309-A EXTRACTS FROM THE LEAVES OF TRIPTERYGIUM THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 1982-05-04 US claimed