SCHEMBL8431237

SCHEMBL8431237

COCCOc1ccc(C([O])C(=O)OC(c2ccccc2)c2ccccc2)c(OC)c1OCCOC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
KIF11 P52732 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 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
SCHEMBL8377093 0.83 SLC6A5 (0.37) HTR1AADRA1DADRA1AADRA1BTAS1R3
SCHEMBL8636164 0.82 LMNA (0.39) HTR1AADRA1DADRA1AADRA1BTAS1R3
SCHEMBL8679133 0.79 ALDH1A1 (0.34) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL8378989 0.75 ALDH1A1 (0.36) HTR1AADRA1DADRA1AADRA1BTAS1R3
SCHEMBL8380383 0.75 HTR1A (0.35) HTR1AADRA1DADRA1AADRA1BTAS1R3
SCHEMBL8378913 0.75 ALDH1A1 (0.39) HTR1AADRA1DADRA1AADRA1BTAS1R3
SCHEMBL8636168 0.74 L3MBTL1 (0.47) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL8378914 0.73 HTR1A (0.39) HTR1AADRA1DADRA1AADRA1BTAS1R3
SCHEMBL8380298 0.73 HTR1A (0.34) HTR1AADRA1DADRA1AADRA1BTAS1R3
SCHEMBL8381714 0.73 LMNA (0.39) HTR1AADRA1DADRA1AADRA1BTAS1R3

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-5936083-A BACTERICIDES Uclaf, Roussel (FR) 1999-08-10 US disclosed