SCHEMBL27744293

SCHEMBL27744293

C=C(C)C(=O)OP(=O)([O-])OCC(CC)[N+](CCCC)(CCCC)CCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.36
PTAFR P25105 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
MAPT P10636 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
AKT1 P31749 1/20 0.32

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
SCHEMBL27744235 0.92 ADRA1D (0.33) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL2863101 0.83 TSHR (0.33) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL28304732 0.82 ADRA1D (0.38) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL30593830 0.77 LMNA (0.34) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL27765173 0.76 TSHR (0.35) TSHRPLA2G2A
SCHEMBL541928 0.75 TSHR (0.43) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL28916143 0.74 TSHR (0.45) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL27991506 0.73 ADRA1D (0.31) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL2037549 0.72 TSHR (0.44) TSHRSMN1; SMN2
SCHEMBL2037326 0.71 TSHR (0.43) ADRA1DPTAFRHTR1DHTR2CADRA1B

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-101466554-A Offset printing plate, offset printing plate material, support for offset printing plate and offset printing method KONICA MINOLTA MEDICAL PRINTIN (JP) 2009-06-24 CN disclosed