SCHEMBL6905217

SCHEMBL6905217

CC(C[Al](CC(C)c1c(F)c(F)c(F)c(F)c1F)CC(C)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.CCCC(C[Al](CC(CCC)c1ccccc1)CC(CCC)c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AOC3 Q16853 2/20 0.32
RIPK1 Q13546 1/20 0.32
TAAR1 Q96RJ0 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
SLC6A4 P31645 1/20 0.31
TRPA1 O75762 1/20 0.30
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL335792 0.83 AOC3 (0.42) AOC3RIPK1TAAR1HTR2AHRH1
SCHEMBL6909370 0.82 TAAR1 (0.37) HPGDALOX15TSHRMAPK1NPSR1
SCHEMBL6908377 0.76 TAAR1 (0.44) AOC3RIPK1TAAR1SMN1; SMN2SLC6A4
SCHEMBL336699 0.74
SCHEMBL17452168 0.72 TRPA1 (0.41) HPGDALOX15TSHRMAPK1NPSR1
SCHEMBL1263573 0.70 AOC3 (0.48) AOC3RIPK1TAAR1HTR2AHRH1
SCHEMBL336023 0.69 LMNA (0.46) AOC3TAAR1TRPA1HTR2AHRH1
SCHEMBL9276354 0.68 AOC3 (0.47) AOC3RIPK1TAAR1HTR2AHRH1
SCHEMBL335496 0.68 TAAR1 (0.56) ALOX15NPSR1AOC3RIPK1TAAR1
SCHEMBL8090799 0.67 AOC3 (0.43) AOC3RIPK1TAAR1HTR2AHRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1141049-B1 CATALYST SYSTEM FOR OLEFIN POLYMERIZATION BASELL POLYOLEFINE GMBH (DE) 2004-06-09 EP claimed
EP-1141049-B1 CATALYST SYSTEM FOR OLEFIN POLYMERIZATION BASELL POLYOLEFINE GMBH (DE) 2004-06-09 EP disclosed