SCHEMBL2637801

SCHEMBL2637801

C[C@H](CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]12)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 8/20 0.75
CYP3A4 P08684 3/20 0.75
PDE3A Q14432 2/20 0.75
NR1H4 Q96RI1 2/20 0.75
TBXA2R P21731 1/20 0.73
SLC10A2 Q12908 1/20 0.73
LMNA P02545 2/20 0.69
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
USP2 O75604 2/20 0.69
SLCO1B3 Q9NPD5 1/20 0.69
SLCO1B1 Q9Y6L6 1/20 0.69
MAPT P10636 2/20 0.68
MAPK1 P28482 1/20 0.68
ABCB11 O95342 1/20 0.63
ALDH1A1 P00352 1/20 0.63
TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL25791236 1.00 GPBAR1 (0.75) GPBAR1CYP3A4PDE3ANR1H4TBXA2R
SCHEMBL25791216 1.00 GPBAR1 (0.75) GPBAR1CYP3A4PDE3ANR1H4TBXA2R
SCHEMBL2369521 0.96 GPBAR1 (0.71) GPBAR1CYP3A4PDE3ANR1H4TBXA2R
SCHEMBL2467588 0.96 GPBAR1 (0.72) GPBAR1CYP3A4PDE3ANR1H4TBXA2R
SCHEMBL246889 0.96 GPBAR1 (0.71) GPBAR1CYP3A4PDE3ANR1H4TBXA2R
SCHEMBL7546767 0.96 GPBAR1 (0.71) GPBAR1CYP3A4PDE3ANR1H4TBXA2R
SCHEMBL23222957 0.95 GPBAR1 (0.83) GPBAR1CYP3A4PDE3ANR1H4SLC10A2
SCHEMBL21114412 0.95 GPBAR1 (0.83) GPBAR1CYP3A4PDE3ANR1H4SLC10A2
SCHEMBL2553341 0.95 GPBAR1 (0.83) GPBAR1CYP3A4PDE3ANR1H4SLC10A2
SCHEMBL23231225 0.95 GPBAR1 (0.83) GPBAR1CYP3A4PDE3ANR1H4SLC10A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111053737-A Polymer micelle composition of targeting small intestine transporter for improving oral absorption of insoluble drug 北京大学 2020-04-24 CN claimed
US-5631138-A ESTERIFICATION, REACTION WITH ALBUMIN, DIALYSIS, IMMUNIZING A MAMMAL TO GENERATE ANTIBODIES, LABELING WITH ENZYME, MEASUREMENT OF ABSORBANCE YUUGENGAISHA B.S.R. (JP) 1997-05-20 US claimed
US-5364632-A Medicinal emulsions YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1994-11-15 US claimed
CN-117327137-A Method for separating cholic acid and deoxycholic acid by using biocompatible two-phase system 浙江大学 2024-01-02 CN disclosed
CN-117230163-A PCR buffer solution, kit and application 武汉艾米森生命科技有限公司 2023-12-15 CN disclosed
CN-116284193-A Method for separating cholic acid and deoxycholic acid 浙江大学 2023-06-23 CN disclosed
CN-116297985-A Bezoar detection method based on UPLC-MS/MS 武汉药品医疗器械检验所 2023-06-23 CN disclosed
CN-115078440-A One kind of use 1 Method for identifying bezoar mass by H NMR 厦门中药厂有限公司 2022-09-20 CN disclosed
CN-114369132-A Preparation method of deoxycholic acid 四川澄华生物科技有限公司 2022-04-19 CN disclosed
CN-111560045-A Method for synthesizing lithocholic acid by taking BA as raw material 江苏佳尔科药业集团股份有限公司 2020-08-21 CN disclosed
CN-110809473-A Pharmaceutical composition for preventing or treating bone-related diseases 延世大学校产学协力团 2020-02-18 CN disclosed
EP-2569000-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING NUCLEAR HORMONE RECEPTOR ACTIVITY Indiana University Research and Technology Corporation (US) 2013-03-20 EP disclosed
WO-2011143209-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING NUCLEAR HORMONE RECEPTOR ACTIVITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2011-11-17 WO disclosed
CN-1501981-A Composition for assaying glycated protein ������ҩ��ʽ���� 2004-06-02 CN disclosed
CN-1470260-A Tumor-diminishing pills 杨天权 2004-01-28 CN disclosed