SCHEMBL28626865

SCHEMBL28626865

CCCCCCCCCCCCCCCCNC(=O)C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.57
GNAI3 P08754 3/20 0.53
GNAO1 P09471 3/20 0.53
GNAI1 P63096 3/20 0.53
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 2/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL28627208 1.00 NAAA (0.57) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL28627205 1.00 NAAA (0.57) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL28625642 1.00 NAAA (0.57) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL28633621 1.00 NAAA (0.57) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL24072339 1.00 NAAA (0.57) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL28626830 1.00 NAAA (0.57) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL24073203 1.00 NAAA (0.57) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL28629209 1.00 NAAA (0.57) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL28626864 1.00 NAAA (0.57) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL22622338 1.00 NAAA (0.57) NAAAGNAI3GNAO1GNAI1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641878-B DIPROVOCIM: effective TLR agonist 斯克里普斯研究学院 2021-09-14 CN disclosed