SCHEMBL28466904

SCHEMBL28466904

NC(=O)OCCCCCCOc1ccc(CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
PRMT1 Q99873 3/20 0.46
F2 P00734 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
PLAU P00749 1/20 0.46
GAA P10253 1/20 0.46
PRMT5 O14744 1/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
TMPRSS2 O15393 1/20 0.46
PTP4A3 O75365 1/20 0.46
SLC22A3 O75751 1/20 0.46
F10 P00742 1/20 0.46
PLG P00747 1/20 0.46
S100B P04271 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46

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
SCHEMBL28462539 0.90 PARP10 (0.46) LMNAHRH3PRSS1L3MBTL1
SCHEMBL10710138 0.84 HRH3 (0.58) LMNAPRMT1F2ST14HRH3
SCHEMBL16902874 0.84 HRH3 (0.58) LMNAPRMT1F2ST14HRH3
SCHEMBL16902872 0.84 HRH3 (0.58) LMNAPRMT1F2ST14HRH3
SCHEMBL16902868 0.84 HRH3 (0.58) LMNAPRMT1F2ST14HRH3
SCHEMBL16902883 0.84 HRH3 (0.58) LMNAPRMT1F2ST14HRH3
SCHEMBL8369936 0.84 HRH3 (0.58) LMNAPRMT1F2ST14HRH3
SCHEMBL16902880 0.84 HRH3 (0.58) LMNAPRMT1F2ST14HRH3
SCHEMBL16902866 0.84 HRH3 (0.58) LMNAPRMT1F2ST14HRH3
SCHEMBL16902867 0.84 HRH3 (0.58) LMNAPRMT1F2ST14HRH3

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-112321472-A Novel monothiol mucolytic agents 帕里昂科学公司 2021-02-05 CN disclosed
CN-107614480-B Novel monothiol mucolytic agents 帕里昂科学公司 2020-09-15 CN disclosed