SCHEMBL14477294

SCHEMBL14477294

C=C(CC)C(=O)OCCN1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HRH3 Q9Y5N1 5/20 0.42
PAOX Q6QHF9 1/20 0.38
SLC29A1 Q99808 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR1B P28222 1/20 0.35
DRD3 P35462 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAPK1 P28482 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 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
SCHEMBL3190974 0.83 THRB (0.46) ALDH1A1HRH3PAOXSLC29A1KDM4E
SCHEMBL10174987 0.79 ALDH1A1 (0.48) ALDH1A1HRH3PAOXSLC29A1KDM4E
SCHEMBL22616033 0.78 THRB (0.46) THRATHRBRAB9A
SCHEMBL235038 0.77 THRB (0.50) ALDH1A1HRH3PAOXSLC29A1KDM4E
SCHEMBL12860038 0.77 THRB (0.50) ALDH1A1HRH3PAOXSLC29A1KDM4E
SCHEMBL16605499 0.76 ALDH1A1 (0.44) ALDH1A1HRH3PAOXSLC29A1KDM4E
SCHEMBL57345 0.75 THRB (0.50) ALDH1A1THRB
SCHEMBL22838359 0.75 THRB (0.49) ALDH1A1SLC29A1KDM4ETHRBMEN1
SCHEMBL11858444 0.74 SLC18A3 (0.51) ALDH1A1HRH3PAOXSLC29A1KDM4E
SCHEMBL17387575 0.74 ALDH1A1 (0.54) ALDH1A1HRH3PAOXSLC29A1KDM4E

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
US-20130001751-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2013-01-03 US disclosed