SCHEMBL21101869

SCHEMBL21101869

CN(C)C(=O)CCCS(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA4 P43681 1/20 0.45
HTT P42858 1/20 0.41
APP P05067 1/20 0.41
LMNA P02545 2/20 0.34
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
APEX1 P27695 1/20 0.32
EPHX2 P34913 1/20 0.32
CCR2 P41597 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
Hexadecanoic Acid Dimethylamide SCHEMBL28959417 0.81 ALDH1A1 (0.59) ALDH1A1HTTAPPPDE4AEPHX2
SCHEMBL3170608 0.81 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL25071530 0.80 ALDH1A1 (0.58) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL5948495 0.77 ALDH1A1 (0.74) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL131476 0.77 ALDH1A1 (0.74) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL8156237 0.76 APP (0.39) APPLMNAPTGS1PDE4ASLC6A6
SCHEMBL12132165 0.75 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL3189950 0.75 ALDH1A1 (0.70) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL12927394 0.73 APP (0.46) ALDH1A1HTTAPPLMNAPTGS1
SCHEMBL13593061 0.71 ALDH1A1 (0.46) ALDH1A1CHRNB2CHRNB4CHRNA4HTT

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
US-20200035419-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, METHOD FOR MANUFACTURING PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTOSENSITIVE-LAYER-FORMING COMPOSITION FUJIFILM CORPORATION (JP) 2020-01-30 US disclosed
EP-3509117-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR BATTERY, METHOD FOR MANUFACTURING PHOTOELECTRIC CONVERSION ELEMENT, AND SURFACE TREATMENT AGENT FOR PEROVSKITE-TYPE CRYSTAL FILM FUJIFILM Corporation (JP) 2019-07-10 EP disclosed
US-20190189362-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, METHOD FOR MANUFACTURING PHOTOELECTRIC CONVERSION ELEMENT, AND SURFACE TREATING AGENT FOR PEROVSKITE-TYPE CRYSTAL FILM FUJIFILM CORPORATION (JP) 2019-06-20 US disclosed