SCHEMBL8666606

SCHEMBL8666606

CC=[Zr](Cl)(Cl)(Cl)(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
HTR2A P28223 2/20 0.33
HTR6 P50406 1/20 0.33
SIGMAR1 Q99720 4/20 0.31
KDM4E B2RXH2 2/20 0.31
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL2777171 0.85 HTR2A (0.33) RETHTR2AHTR6SIGMAR1KDM4E
SCHEMBL7770537 0.84 HTR6 (0.33) RETHTR2AHTR6SIGMAR1KDM4E
SCHEMBL7644941 0.84 HTR6 (0.33) RETHTR2AHTR6SIGMAR1KDM4E
SCHEMBL7644577 0.80 HTR2A (0.33) RETHTR2AHTR6SIGMAR1KDM4E
SCHEMBL7109891 0.80 SIGMAR1 (0.31) HTR2AHTR6SIGMAR1
SCHEMBL4457342 0.79 HTR2A (0.36) RETHTR2AHTR6SIGMAR1KDM4E
SCHEMBL7063904 0.77 GPR3 (0.30)
SCHEMBL7615275 0.76 HTR2A (0.34) RETHTR2AHTR6SIGMAR1KDM4E
SCHEMBL1065902 0.74 HTR2A (0.33) RETHTR2AHTR6SIGMAR1KDM4E
SCHEMBL3627507 0.74 HTR2A (0.37) RETHTR2AHTR6SIGMAR1KDM4E

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-0591756-B1 Polymerization catalysts and process for producing polymers IDEMITSU KOSAN CO (JP) 1998-11-25 EP disclosed
US-5461127-A Comprising group 4 metal, cyclic hydrocarbon, ligands, Lewis base; addition polymerization IDEMITSU KOSAN CO., LTD. (JP) 1995-10-24 US disclosed
EP-0591756-A2 Polymerization catalysts and process for producing polymers IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-04-13 EP disclosed