SCHEMBL7630353

SCHEMBL7630353

CC=[Ti](c1ccccc1)(c1ccccc1)(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.33
KDM4E B2RXH2 2/20 0.33
HTR2A P28223 2/20 0.33
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL3385138 0.79 HTR6 (0.33) SIGMAR1HTR2ABRD4CCL2HTR6
SCHEMBL2133566 0.79 BRD4 (0.34) SIGMAR1KDM4EHTR2ABRD4CCL2
SCHEMBL8754935 0.77 BRD4 (0.33) SIGMAR1KDM4EHTR2ABRD4CCL2
SCHEMBL1130888 0.77 BRD4 (0.33) SIGMAR1KDM4EHTR2ABRD4CCL2
SCHEMBL721920 0.77 BRD4 (0.33) SIGMAR1KDM4EHTR2ABRD4CCL2
SCHEMBL3381833 0.75 HTR6 (0.33) SIGMAR1HTR2ABRD4CCL2HTR6
SCHEMBL3385648 0.75 HTR6 (0.33) SIGMAR1HTR2ABRD4CCL2HTR6
SCHEMBL3385102 0.75 HTR6 (0.33) SIGMAR1HTR2ABRD4CCL2HTR6
Hydrochloric Acid SCHEMBL8605232 0.75 SIGMAR1 (0.32) SIGMAR1KDM4EHTR2ABRD4CCL2
SCHEMBL7628486 0.75 SIGMAR1 (0.32) SIGMAR1HTR2ABRD4CCL2HTR6

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-0849288-B1 Catalyst for polymerization of an olefin, and method for producing an olefin polymer TOSOH CORP (JP) 2002-11-27 EP disclosed
US-5906955-A Catalyst for polymerization of an olefin, and method for producing an olefin polymer TOSOH CORPORATION (JP) 1999-05-25 US disclosed
EP-0849288-A1 Catalyst for polymerization of an olefin, and method for producing an olefin polymer TOSOH CORPORATION (JP) 1998-06-24 EP disclosed