SCHEMBL29528794

SCHEMBL29528794

CC(C)(C)OC(=O)N1CCc2cc(Br)ccc2C1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.74
NR1H2 P55055 1/20 0.64
ABHD6 Q9BV23 4/20 0.64
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 2/20 0.48
MAPK1 P28482 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
ESR1 P03372 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NAMPT P43490 2/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
HSD17B3 P37058 1/20 0.44
MAPT P10636 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43

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
SCHEMBL587847 1.00 ESR2 (0.74) ESR2NR1H2ABHD6HDAC1HDAC6
SCHEMBL29587073 0.95 NR1H2 (0.72) ESR2NR1H2ABHD6HDAC1HDAC6
SCHEMBL1011003 0.95 NR1H2 (0.72) ESR2NR1H2ABHD6HDAC1HDAC6
Hydrochloric Acid SCHEMBL38653092 0.93 NR1H2 (0.70) ESR2NR1H2ABHD6HDAC1HDAC6
SCHEMBL1263385 0.92 ESR2 (0.63) ESR2NR1H2ABHD6HDAC1HDAC6
SCHEMBL1263942 0.92 ESR2 (0.61) ESR2NR1H2ABHD6HDAC1HDAC6
SCHEMBL30951607 0.89 ABHD6 (0.60) ESR2NR1H2ABHD6HDAC1HDAC6
SCHEMBL330056 0.89 ABHD6 (0.60) ESR2NR1H2ABHD6HDAC1HDAC6
SCHEMBL31345278 0.88 ESR2 (0.57) ESR2NR1H2ABHD6HDAC1HDAC6
SCHEMBL24265586 0.87 NR1H2 (0.62) ESR2NR1H2ABHD6HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116829545-B Substituted pyrazolylpiperidine carboxylic acids 拜耳公司 2026-05-15 CN disclosed
CN-114948963-B Benzolactam compounds as protein kinase inhibitors 大冢制药株式会社 2025-05-27 CN disclosed
CN-119954773-A PSMA compounds, pharmaceutical compositions comprising the same and uses thereof 苏州威智创科生物有限公司 2025-05-09 CN disclosed
CN-119948023-A Regulator containing piperidine polycyclic derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-06 CN disclosed
CN-111819175-B Broad-spectrum antiviral compositions and methods 艾弗里斯生物有限责任公司 2025-05-02 CN disclosed
CN-119698422-A Aza condensed ring compound, preparation method and medical application thereof 苏州爱科百发生物医药技术有限公司 2025-03-25 CN disclosed
CN-119365479-A Conjugates comprising Toll-like receptor agonists 慕宝盛科生物医药(上海)有限公司 2025-01-24 CN disclosed
CN-119053600-A Heterocyclic compounds for the treatment of cancer 阿提奥斯医药有限公司 2024-11-29 CN disclosed
CN-118742543-A Dihydro isoquinoline compound and medical application thereof 中国科学院上海药物研究所 2024-10-01 CN disclosed
CN-118556059-A Heterocyclic compounds for the treatment of cancer 阿提奥斯医药有限公司 2024-08-27 CN disclosed
CN-117693502-A Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same 纽力克斯治疗公司 2024-03-12 CN disclosed
CN-112004816-B PRC2 inhibitors 米拉蒂医疗股份有限公司 2024-01-05 CN disclosed
CN-116829545-A Substituted pyrazolylpiperidine carboxylic acids 拜耳公司 2023-09-29 CN disclosed
CN-116789641-A Dihydro isoquinoline compound and medical application thereof 中国科学院上海药物研究所 2023-09-22 CN disclosed
CN-115551831-A CYP11A1 inhibitor 奥赖恩公司 2022-12-30 CN disclosed
CN-115279370-A Compounds for targeted degradation of BRD9 C4医药公司 2022-11-01 CN disclosed
CN-114948963-A Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-08-30 CN disclosed
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN disclosed
CN-109863145-B Novel tetrahydroisoquinoline and tetrahydronaphthyridine compounds for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2022-04-12 CN disclosed
CN-114269748-A Imidazo [1,2-c ] pyrimidine derivatives as PRC2 inhibitors for the treatment of cancer 米拉蒂医疗股份有限公司 2022-04-01 CN disclosed