Thapsigargin

Thapsigargin

SCHEMBL5690389

C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@@]1(O)[C@H]2OC(=O)[C@@]1(C)O.C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@@]1(O)[C@H]2OC(=O)[C@@]1(C)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 1.00
▸ HPGD P15428 2/20 1.00
▸ POLB P06746 2/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ NPSR1 Q6W5P4 2/20 1.00
▸ NPC1 O15118 2/20 1.00
▸ RAB9A P51151 2/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ GMNN O75496 1/20 1.00
▸ ALDH1A1 P00352 1/20 1.00
▸ LMNA P02545 1/20 1.00
▸ GLA P06280 1/20 1.00
▸ GAA P10253 1/20 1.00
▸ APEX1 P27695 1/20 1.00
▸ BLM P54132 1/20 1.00
▸ PMP22 Q01453 1/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ ATP2A1 O14983 1/20 1.00
▸ MTOR P42345 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
Thapsigargin SCHEMBL18762158 1.00 MAPT (1.00) MAPTHPGDPOLBMAPK1KMT2A
Thapsigargin SCHEMBL21981209 1.00 MAPT (1.00) MAPTHPGDPOLBMAPK1KMT2A
Thapsigargin SCHEMBL21981207 1.00 MAPT (1.00) MAPTHPGDPOLBMAPK1KMT2A
Thapsigargin SCHEMBL82423 1.00 MAPT (1.00) MAPTHPGDPOLBMAPK1KMT2A
Thapsigargin SCHEMBL18762159 1.00 MAPT (1.00) MAPTHPGDPOLBMAPK1KMT2A
Thapsigargin SCHEMBL16491487 1.00 MAPT (1.00) MAPTHPGDPOLBMAPK1KMT2A
Thapsigargin SCHEMBL20897006 0.99 MAPT (0.99) MAPTHPGDPOLBMAPK1KMT2A
SCHEMBL21900317 0.99 MAPT (1.00) MAPTHPGDPOLBMAPK1KMT2A
SCHEMBL18080775 0.96 MAPT (0.93) MAPTHPGDPOLBMAPK1KMT2A
SCHEMBL18082023 0.96 MAPT (0.93) MAPTHPGDPOLBMAPK1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548049-A1 COMPOSITIONS AND METHODS FOR IMMUNE CELL MODULATION IN ADOPTIVE IMMUNOTHERAPIES Fate Therapeutics, Inc. (US) 2019-10-09 — — EP disclosed
EP-3405567-A1 COMPOSITIONS AND METHODS FOR IMMUNE CELL MODULATION IN ADOPTIVE IMMUNOTHERAPIES Fate Therapeutics, Inc. (US) 2018-11-28 — — EP disclosed
EP-3405568-A1 COMPOSITIONS AND METHODS FOR IMMUNE CELL MODULATION IN ADOPTIVE IMMUNOTHERAPIES Fate Therapeutics, Inc. (US) 2018-11-28 — — EP disclosed
WO-2018106595-A1 COMPOSITIONS AND METHODS FOR IMMUNE CELL MODULATION IN ADOPTIVE IMMUNOTHERAPIES FATE THERAPEUTICS, INC. (US) 2018-06-14 — — WO disclosed
WO-2017127729-A1 COMPOSITIONS AND METHODS FOR IMMUNE CELL MODULATION IN ADOPTIVE IMMUNOTHERAPIES FATE THERAPEUTICS, INC. (US) 2017-07-27 — — WO disclosed
WO-2017127755-A1 COMPOSITIONS AND METHODS FOR IMMUNE CELL MODULATION IN ADOPTIVE IMMUNOTHERAPIES FATE THERAPEUTICS, INC. (US) 2017-07-27 — — WO disclosed
EP-1637161-A1 REMEDY FOR CEREBRAL NEURODEGENERATIVE DISEASES USING PPAR&dgr; AGONIST Astellas Pharma Inc. (JP) 2006-03-22 — — EP disclosed
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