SCHEMBL1442828

SCHEMBL1442828

CC(C)(C)OC(=O)n1cccc1OB(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
BCHE P06276 1/20 0.41
BUB1 O43683 1/20 0.38
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR119 Q8TDV5 2/20 0.33
TNK2 Q07912 1/20 0.33
ELANE P08246 1/20 0.32
HTR6 P50406 1/20 0.32
POLB P06746 1/20 0.32
ABCB1 P08183 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL367386 0.81 HSP90AA1 (0.44) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL757849 0.79 HSP90AA1 (0.43) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL10225711 0.78 HSP90AA1 (0.42) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL69996 0.78 HSP90AA1 (0.44) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL19204908 0.77 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL8269671 0.76 HSP90AA1 (0.43) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL3412038 0.76 HSP90AA1 (0.43) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL4916320 0.75 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL15417736 0.75 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL163016 0.75 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093423-A Synthesis method of naphthoporphyrin with different substituents and preparation method of metal complex thereof 江苏大学 2022-09-23 CN claimed
WO-2025067126-A1 PYRIDONE COMPOUNDS AND PREPARATION METHOD THEREFOR, AND APPLICATION 深圳信立泰药业股份有限公司 2025-04-03 WO disclosed
CN-108623561-B Method for preparing panenonic acid compound 中国海洋大学 2025-04-01 CN disclosed
WO-2024240086-A1 COMPOUND FOR REGULATING AND CONTROLLING 15-PGDH ACTIVITY AND PREPARATION METHOD THEREFOR 成都倍特药业股份有限公司 2024-11-28 WO disclosed
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
CN-116940552-A Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2023-10-24 CN disclosed
CN-114031518-B Benzylamine or benzyl alcohol derivative and application thereof 成都海博为药业有限公司 2023-08-18 CN disclosed
CN-115093423-A Synthesis method of naphthoporphyrin with different substituents and preparation method of metal complex thereof 江苏大学 2022-09-23 CN disclosed
CN-115093423-A Synthesis method of naphthoporphyrin with different substituents and preparation method of metal complex thereof 江苏大学 2022-09-23 CN disclosed
EP-2473486-B2 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2021-09-22 EP disclosed
EP-2473486-B1 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2015-10-28 EP disclosed
EP-2473486-A1 NOVEL PYRIMIDINE AND TRIAZINE HEPCIDINE ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-07-11 EP disclosed
WO-2011026835-A1 NOVEL PYRIMIDINE AND TRIAZINE HEPCIDINE ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-10 WO disclosed
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed
EP-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed