SCHEMBL28100804

SCHEMBL28100804

C1=CNCC1.NCCCCC(NC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.47
CPB2 Q96IY4 11/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SLC15A2 Q16348 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
GSR P00390 1/20 0.36

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
SCHEMBL2331387 1.00 FOLH1 (0.47) FOLH1CPB2CA1CA2SLC15A2
SCHEMBL43996 0.81 FOLH1 (0.66) FOLH1CPB2CA1CA2SLC15A2
SCHEMBL9875634 0.81 FOLH1 (0.66) FOLH1CPB2CA1CA2SLC15A2
SCHEMBL43995 0.81 FOLH1 (0.66) FOLH1CPB2CA1CA2SLC15A2
SCHEMBL27858773 0.78 ALDH1A1 (0.45) CA1CA2
Pyrrole SCHEMBL28847693 0.77 FOLH1 (0.54) FOLH1CPB2CA1CA2SLC15A2
2-Pyrrolidone SCHEMBL28915581 0.72 CPB2 (0.46) FOLH1CPB2CA1CA2SLC15A2
SCHEMBL24141430 0.71 FOLH1 (0.54) FOLH1CPB2CA1CA2SLC15A2
SCHEMBL12572609 0.70 FOLH1 (0.83) FOLH1CPB2SLC6A5GSR
SCHEMBL1006178 0.69 FOLH1 (0.64) FOLH1CPB2CA1CA2SLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116234562-A Means and methods for treating pathological aggregation 非营利性组织佛兰芒综合大学生物技术研究所 2023-06-06 CN disclosed
CN-110494443-A The sub- polypeptide of shiga toxin A Effect of subunit, shiga toxin effect submounts and cell-targeting molecule for locus specificity conjugation MOLECULAR TEMPLATES INC 2019-11-22 CN disclosed
CN-110087671-A FGF21 compound/GLP-1R agonist combinations with optimized activity ratio 赛诺菲 2019-08-02 CN disclosed
CN-104334576-B Site-specific labeling methods and molecules produced thereby 诺华股份有限公司 2019-02-19 CN disclosed
CN-107266579-A Fusion protein for treating metabolic disease 诺华股份有限公司 2017-10-20 CN disclosed
CN-103945871-B Fusion proteins for the treatment of metabolic diseases 诺华股份有限公司 2017-04-26 CN disclosed
CN-106432510-A Dual function proteins for treating metabolic disorders 诺华股份有限公司 2017-02-22 CN disclosed
CN-104024273-B Bifunctional proteins for the treatment of metabolic diseases 诺华股份有限公司 2016-10-12 CN disclosed