SCHEMBL3354761

SCHEMBL3354761

CC(C)(C)OC(=O)C1=CNOC=C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30

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
SCHEMBL28353420 0.72 ADORA2B (0.33) TP53MAPTALOX15HSD17B10
SCHEMBL4294976 0.71
SCHEMBL3356545 0.70
SCHEMBL29152579 0.69 TP53 (0.33) TP53MAPTALOX15HSD17B10CA12
SCHEMBL29386151 0.69 TP53 (0.33) TP53MAPTALOX15HSD17B10CA12
SCHEMBL5751644 0.69 NFKB1 (0.31) TP53MAPTALOX15HSD17B10CA12
SCHEMBL6205702 0.69 TP53 (0.36) TP53MAPTALOX15HSD17B10CA12
SCHEMBL27771574 0.69 TP53 (0.31) TP53MAPTALOX15HSD17B10CA12
SCHEMBL27602721 0.68 ALDH1A1 (0.34)
SCHEMBL16166477 0.67 TP53 (0.32) TP53MAPTALOX15HSD17B10CA12

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1681811-B Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS 2010-05-26 CN claimed
CN-1681811-A Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS (AN) 2005-10-12 CN claimed
CN-120077040-A Compounds for SHP2 protein degradation and medical uses thereof 尤比克斯治疗公司 2025-05-30 CN disclosed
CN-116283916-B Compound with Axl and c-Met kinase inhibition activity and preparation and application thereof 中国科学院上海药物研究所 2024-06-11 CN disclosed
CN-118103369-A Pyridolactam derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2024-05-28 CN disclosed
CN-117917406-A Heterocyclic compounds, process for their preparation and their use 四川科伦博泰生物医药股份有限公司 2024-04-23 CN disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
CN-113226310-B 15-PGDH inhibitors 杏林制药株式会社 2024-03-19 CN disclosed
CN-117355522-A PKC-theta modulators 爱智药人工智能有限公司 2024-01-05 CN disclosed
CN-112204028-B tetrahydro-1H-pyrazino [2,1-a ] isoindoloquinoline compounds for use in the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-12-29 CN disclosed
CN-117024411-A Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-11-10 CN disclosed
CN-108473439-A Pyrazolone derivative as nitroxyl donors 卡尔迪奥克斯尔制药公司 2018-08-31 CN disclosed
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
CN-1681811-B Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS 2010-05-26 CN disclosed
CN-101300047-A PI3K inhibitors for the treatment of endometriosis SERONO LAB (CH) 2008-11-05 CN disclosed
CN-1681811-A Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS (AN) 2005-10-12 CN disclosed
CN-1335845-A 3,4-dihydro-2H-benzo[1,4] oxazinyl-methyl [3-(1H-indol-3-yl)-alkyl]-amines AMERICAN HOME PROD (US) 2002-02-13 CN disclosed
CN-1304409-A Indol-3-Yl-cyclohexyl amide derivatives for treatment of depression (5-HT1 receptor antagonists) AMERICAN HOME PROD (US) 2001-07-18 CN disclosed