SCHEMBL8702175

SCHEMBL8702175

C[O-].C[O-].c1ccc2c(c1)-c1ccccc1C2[Zr+2]C1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.44
HTR2A P28223 1/20 0.39
POLB P06746 2/20 0.38
ACHE P22303 3/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KMT2A Q03164 3/20 0.35
BCHE P06276 2/20 0.35
MEN1 O00255 2/20 0.35
SLC22A2 O15244 1/20 0.35

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
Ethane SCHEMBL8163438 0.90 GPR3 (0.44) GPR3HTR2APOLBACHECHRM2
Fluoride Ion SCHEMBL1131320 0.90 GPR3 (0.42) GPR3HTR2APOLBACHECHRM2
Bromide SCHEMBL7878846 0.90 GPR3 (0.42) GPR3HTR2APOLBACHECHRM2
SCHEMBL8379078 0.90 GPR3 (0.42) GPR3HTR2APOLBACHECHRM2
Hydrochloric Acid SCHEMBL618216 0.90 GPR3 (0.42) GPR3HTR2APOLBACHECHRM2
Hydrochloric Acid SCHEMBL8599251 0.87 GPR3 (0.41) GPR3HTR2APOLBACHECHRM2
Hydrochloric Acid SCHEMBL8378993 0.87 GPR3 (0.41) GPR3HTR2APOLBACHECHRM2
Ethylene SCHEMBL6914332 0.85 GPR3 (0.39) GPR3HTR2APOLBACHECHRM2
Hydrochloric Acid SCHEMBL5355296 0.79 ELANE (0.42) GPR3KMT2AMEN1CYP1A2LMNA
Hydrochloric Acid SCHEMBL6553652 0.75 GPR3 (0.33) GPR3KMT2AMEN1LMNA

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
EP-0448115-B1 Method for producing a polyolefin TOSOH CORP (JP) 1998-01-07 EP disclosed
US-5629390-A Method for producing a polyolefin TOSOH CORPORATION (JP) 1997-05-13 US disclosed
EP-0448115-A2 Method for producing a polyolefin Tosoh Corporation (JP) 1991-09-25 EP disclosed