SCHEMBL28089215

SCHEMBL28089215

NC(=O)NCCCC(NS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.47
SHMT1 P34896 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
FOLH1 Q04609 5/20 0.36
OTC P00480 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KLK7 P49862 1/20 0.35
GAA P10253 1/20 0.34
NOD1 Q9Y239 2/20 0.34
DDAH1 O94760 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33
GNPAT O15228 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL30418562 0.86 ALOX15 (0.37) C3AR1FOLH1OTCMEN1KMT2A
SCHEMBL5497852 0.83 C3AR1 (0.55) C3AR1SHMT1CTDSP1FOLH1MEN1
SCHEMBL27743728 0.83 C3AR1 (0.51) C3AR1SHMT1CTDSP1FOLH1OTC
SCHEMBL2993887 0.83 C3AR1 (0.51) C3AR1SHMT1CTDSP1FOLH1OTC
SCHEMBL5497855 0.83 C3AR1 (0.55) C3AR1SHMT1CTDSP1FOLH1MEN1
SCHEMBL29429369 0.83 GNPAT (0.49) C3AR1SHMT1CTDSP1FOLH1OTC
SCHEMBL93363 0.81 C3AR1 (0.47) C3AR1SHMT1CTDSP1FOLH1OTC
SCHEMBL30404095 0.81 C3AR1 (0.47) C3AR1SHMT1CTDSP1FOLH1OTC
SCHEMBL143455 0.81 C3AR1 (0.50) C3AR1SHMT1CTDSP1FOLH1OTC
SCHEMBL93364 0.81 C3AR1 (0.47) C3AR1SHMT1CTDSP1FOLH1OTC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106279110-A Heterocyclic compound, medicine containing described compound and application thereof and its preparation method 勃林格殷格翰国际有限公司 2017-01-04 CN disclosed
CN-106163553-A The compositions of multimeric multi-epitope influenza polypeptide and generation thereof 彼昂德瓦克斯医药有限公司 2016-11-23 CN disclosed
CN-104024244-B Heterocyclic compounds, medicaments containing said compounds, their use and processes for their preparation 勃林格殷格翰国际有限公司 2016-09-14 CN disclosed