SCHEMBL7607488

SCHEMBL7607488

CCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr](C)(C)C(C)(C)[Zr](C)(C)C1C(CC)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
CNR2 P34972 1/20 0.31
HTR7 P34969 2/20 0.30
HTR1A P08908 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL7599308 0.85 CNR2 (0.32) CNR2HTR7HTR1AHTR2BTMEM97
SCHEMBL797403 0.84 CNR2 (0.33) CNR2HTR7HTR1AHTR2BTMEM97
SCHEMBL7601460 0.84 CA12 (0.32) PPARGPPARA
SCHEMBL7598788 0.84
SCHEMBL2522719 0.84 PTPN1 (0.33) CNR2HTR7HTR1AHTR2BTMEM97
Propane SCHEMBL8633041 0.83 SLC6A4 (0.32) HTR7HTR1AHTR2BTMEM97SIGMAR1
SCHEMBL27473875 0.83 HTR7 (0.32) HTR7HTR1AHTR2BTMEM97SIGMAR1
Ethane SCHEMBL8632402 0.83 KDM4E (0.31) HTR7HTR1AHTR2BTMEM97SIGMAR1
Hexane SCHEMBL8633532 0.82 TLR8 (0.36) CNR2HTR7
SCHEMBL797680 0.81 CNR2 (0.34) CNR2HTR7

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
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed