SCHEMBL29459591

SCHEMBL29459591

CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CC(O)C4(C)C3CC(O)C12C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.78
CYP3A4 P08684 4/20 0.78
NR1H4 Q96RI1 4/20 0.78
PDE3A Q14432 2/20 0.78
LMNA P02545 2/20 0.71
ABCB11 O95342 3/20 0.64
TDP1 Q9NUW8 2/20 0.63
ALDH1A1 P00352 1/20 0.63
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
SLCO1B3 Q9NPD5 1/20 0.62
SLCO1B1 Q9Y6L6 1/20 0.62
USP2 O75604 1/20 0.62
SLC10A2 Q12908 3/20 0.61
CYP2C19 P33261 1/20 0.61
CHRM2 P08172 1/20 0.61
ADRA2A P08913 1/20 0.61
ADRA1A P35348 1/20 0.61
ENPP2 Q13822 1/20 0.61
SLC10A1 Q14973 1/20 0.61

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
SCHEMBL1147290 1.00 GPBAR1 (0.78) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL16241720 1.00 GPBAR1 (0.78) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL1492131 1.00 GPBAR1 (0.78) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL19650372 1.00 GPBAR1 (0.78) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL1654286 1.00 GPBAR1 (0.78) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL16252975 1.00 GPBAR1 (0.78) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL16057839 0.93 GPBAR1 (0.74) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL18424160 0.93 GPBAR1 (0.74) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL759713 0.91 GPBAR1 (0.71) GPBAR1CYP3A4NR1H4PDE3ALMNA
SCHEMBL4431263 0.90 GPBAR1 (0.70) GPBAR1CYP3A4NR1H4PDE3ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023217237-A1 LIPID COMPOUND, AND COMPOSITION, PREPARATION AND USE THEREOF 苏州慧疗生物医药科技有限公司 2023-11-16 WO claimed
WO-2023185709-A1 MARKER COMBINATION FOR DIAGNOSING ADVANCED COLORECTAL TUMOR, AND APPLICATION THEREOF 武汉迈特维尔医学科技有限公司 2023-10-05 WO claimed
WO-2023008927-A1 AMORPHOUS NANO-MOLECULAR AGGREGATE COMPOSED OF ORGANIC MATERIAL, INORGANIC MATERIAL, OR SALT THEREOF, AND METHOD FOR PREPARING SAME 주식회사 스카이테라퓨틱스 2023-02-02 WO claimed
WO-2022196858-A1 AMINO ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR TREATING HEPATITIS, COMPRISING SAME (주)프레이저테라퓨틱스 2022-09-22 WO claimed
WO-2024181391-A1 IL-11 ANTISENSE OLIGONUCLEOTIDE 日産化学株式会社 2024-09-06 WO disclosed
WO-2024143876-A1 NANOPARTICLES FOR PHOTOIMMUNE THERAPY COMPRISING PHOTOSENSITIZER AND ADJUVANT, AND USAGE THEREOF 한국과학기술연구원 2024-07-04 WO disclosed
WO-2024019246-A1 ORAL PHARMACEUTICAL COMPOSITION CONTAINING TERIPARATIDE FOR PREVENTION OR TREATMENT OF OSTEOPOROSIS AND PREPARATION METHOD THEREFOR 주식회사 아이큐어비앤피 2024-01-25 WO disclosed
WO-2023168974-A1 CHOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF AS TGR5 ALLOSTERIC AGONIST 常州大学 2023-09-14 WO disclosed
CN-115093454-B Co-production preparation method of cholic acid and deoxycholic acid compound 青海夏都医药有限公司 2023-09-01 CN disclosed
US-11738045-B2 Therapeutic clay compositions and methods of using ELANCO US INC. (US) 2023-08-29 US disclosed
WO-2023128330-A1 ORTHOPEDIC SUPPORT STRUCTURE AND MANUFACTURING METHOD THEREFOR 한림대학교 산학협력단 2023-07-06 WO disclosed
CN-116333092-A Teriparatide lipidated derivatives 正大天晴药业集团股份有限公司 2023-06-27 CN disclosed
CN-116159068-A Novel use of bile acids and/or bile acid receptor agonists 香港理工大学深圳研究院 2023-05-26 CN disclosed
WO-2023048434-A1 COMPOSITION FOR TREATING CORONAVIRUS DISEASE 2019 (COVID-19) CONTAINING TAURODEOXYCHOLIC ACID OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND ANTIVIRAL AGENT AS ACTIVE INGREDIENTS (주)샤페론 2023-03-30 WO disclosed
WO-2022231375-A1 COMPOSITION FOR DRUG DELIVERY COMPRISING NANOPARTICLES NOT CONTAINING AMPHIPHILIC POLYMER 주식회사 삼양홀딩스 2022-11-03 WO disclosed
WO-2022231374-A1 KIT FOR PREPARING NANOPARTICLES CONTAINING DRUG AND COMPRISING NO AMPHIPHILIC POLYMERS 주식회사 삼양홀딩스 2022-11-03 WO disclosed
CN-114981267-A MKK4 inhibitor 3-benzoyl-1H-pyrrolo [2,3-B ] pyridine derivatives for the treatment of liver diseases 海帕瑞吉尼克斯股份有限公司 2022-08-30 CN disclosed
WO-2022060121-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING SEPSIS, ACUTE LUNG INJURY, OR ACUTE RESPIRATORY DISTRESS SYNDROME, CONTAINING WATER-SOLUBILIZED BILE ACID 주식회사 아미코젠파마 2022-03-24 WO disclosed