SCHEMBL28010959

SCHEMBL28010959

CCCCCCCCCCCC(=O)OC(C)n1cnc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TLR2 O60603 2/20 0.36
TLR1 Q15399 2/20 0.36
MITF O75030 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
SCHEMBL28010023 1.00 LMNA (0.43) LMNAMAPTMAPK1ALDH1A1TLR2
SCHEMBL8999603 0.75 AGTR1 (0.48)
SCHEMBL8999689 0.74 AGTR1 (0.39)
SCHEMBL3690178 0.71 LMNA (0.51) LMNAMAPTMAPK1ALDH1A1TLR2
SCHEMBL28010960 0.71 LMNA (0.44) LMNAMAPTMAPK1ALDH1A1
SCHEMBL28010025 0.71 LMNA (0.44) LMNAMAPTMAPK1ALDH1A1
Hexane SCHEMBL9088438 0.68 SMN1; SMN2 (0.59) MAPTALDH1A1MITF
Isopropyl Palmitate SCHEMBL11518425 0.68 LMNA (0.79) LMNAMAPTMAPK1ALDH1A1
SCHEMBL28459114 0.65 LMNA (0.96) LMNAMAPTMAPK1ALDH1A1
SCHEMBL28469174 0.65 LMNA (0.96) LMNAMAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104561172-A Method for synthesizing 1-(4-nitroimidazolyl)ethyl laurate on line under catalysis of lipase UNIV ZHEJIANG TECHNOLOGY 2015-04-29 CN disclosed
CN-104561172-A Method for synthesizing 1-(4-nitroimidazolyl)ethyl laurate on line under catalysis of lipase UNIV ZHEJIANG TECHNOLOGY 2015-04-29 CN disclosed