SCHEMBL28402276

SCHEMBL28402276

CCCCCCCCCC=CNC(CCCCN)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 4/20 0.67
SIRT6 Q8N6T7 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
TLR2 O60603 1/20 0.44
PPARG P37231 2/20 0.43
GPR132 Q9UNW8 1/20 0.43
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
FOLH1 Q04609 1/20 0.41

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
SCHEMBL20586243 0.90 SLC6A5 (0.53) SLC6A5SIRT6SIRT1TLR2GNAI3
SCHEMBL20586245 0.90 SLC6A5 (0.53) SLC6A5SIRT6SIRT1TLR2GNAI3
SCHEMBL20586244 0.90 SLC6A5 (0.53) SLC6A5SIRT6SIRT1TLR2GNAI3
SCHEMBL7569485 0.90 SLC6A5 (0.52) SLC6A5SIRT6PPARG
SCHEMBL7569487 0.90 SLC6A5 (0.52) SLC6A5SIRT6PPARG
SCHEMBL20586749 0.84 SLC6A5 (0.49) SLC6A5SIRT6SIRT1TLR2GNAI3
SCHEMBL20586747 0.84 SLC6A5 (0.49) SLC6A5SIRT6SIRT1TLR2GNAI3
SCHEMBL1933864 0.82 SLC6A5 (0.69) SLC6A5SIRT6SIRT1TLR2PPARG
SCHEMBL1933866 0.82 SLC6A5 (0.69) SLC6A5SIRT6SIRT1TLR2PPARG
SCHEMBL29052968 0.82 FAAH (0.53) SLC6A5SIRT6PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113557033-A Conjugates of pattern recognition receptor agonists 阿森迪斯药物肿瘤股份有限公司 2021-10-26 CN disclosed
CN-113316452-A Sustained local drug levels of innate immunity agonists 阿森迪斯药物肿瘤股份有限公司 2021-08-27 CN disclosed
CN-112770781-A Novel hydrogel conjugates 阿森迪斯药物股份有限公司 2021-05-07 CN disclosed
CN-111213831-A Camel milk buckwheat noodles and making method thereof 贝加尔 2020-06-02 CN disclosed