SCHEMBL23912875

SCHEMBL23912875

O=C(O)CCNCCOc1ccccc1OCC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTR1A P08908 4/20 0.44
ADRA1D P25100 4/20 0.44
ADRA1A P35348 4/20 0.44
ADRA1B P35368 4/20 0.44
S1PR1 P21453 3/20 0.44
KDM4E B2RXH2 3/20 0.44
S1PR3 Q99500 2/20 0.44
MEN1 O00255 1/20 0.43
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
KMT2A Q03164 1/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL23912992 0.86 LTA4H (0.53) LTA4HLMNAHTTSMN1; SMN2HTR1A
SCHEMBL23904680 0.76 ADRA1A (0.53) LMNAHTTSMN1; SMN2HTR1AADRA1D
SCHEMBL23904679 0.76 ADRA1A (0.53) LMNAHTTSMN1; SMN2HTR1AADRA1D
SCHEMBL2559961 0.76 LMNA (0.59) LTA4HLMNAHTTSMN1; SMN2KDM4E
SCHEMBL12840659 0.76 L3MBTL1 (0.61) LMNAHTTSMN1; SMN2KDM4ES1PR3
SCHEMBL2655526 0.74 THRA (0.51) LMNAHTTSMN1; SMN2S1PR3MEN1
SCHEMBL23912884 0.73 LMNA (0.42) LMNAHTTSMN1; SMN2KDM4ES1PR3
SCHEMBL28288419 0.73 MAPT (0.52) LMNAHTTSMN1; SMN2KDM4ES1PR3
SCHEMBL2350644 0.72 AR (0.47) LMNAHTTSMN1; SMN2KDM4ES1PR3
SCHEMBL18902791 0.71 HTR1B (0.57) LMNAHTTHTR1AADRA1DADRA1A

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
EP-3892615-A1 PROCESS FOR THE PREPARATION OF SILODOSIN Minakem (FR) 2021-10-13 EP disclosed