SCHEMBL7066166

SCHEMBL7066166

C[Zr](c1ccccc1)(c1ccccc1)(C1C=Cc2ccccc21)C1C=Cc2ccccc21.[H-].[H-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.33
HTR6 P50406 1/20 0.33
HTR2A P28223 2/20 0.32
BRD4 O60885 1/20 0.30
CCL2 P13500 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 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
Hydrochloric Acid SCHEMBL7066628 0.98 SIGMAR1 (0.33) SIGMAR1HTR6HTR2AKDM4E
Hydrochloric Acid SCHEMBL7066630 0.98 SIGMAR1 (0.33) SIGMAR1HTR6HTR2A
SCHEMBL7061981 0.98 SIGMAR1 (0.34) SIGMAR1HTR6HTR2ABRD4CCL2
Bromide SCHEMBL7064187 0.96 SIGMAR1 (0.33) SIGMAR1HTR6HTR2ABRD4CCL2
Hydrochloric Acid SCHEMBL7065674 0.96 SIGMAR1 (0.33) SIGMAR1HTR6HTR2ABRD4CCL2
Bromide SCHEMBL7065912 0.95 SIGMAR1 (0.33) SIGMAR1HTR6HTR2AKDM4E
Methyl Alcohol SCHEMBL7062086 0.95 SIGMAR1 (0.33) SIGMAR1HTR6HTR2A
Methyl Alcohol SCHEMBL7062236 0.93 SIGMAR1 (0.32) SIGMAR1HTR6HTR2AKDM4E
SCHEMBL6831898 0.81 SIGMAR1 (0.33) SIGMAR1HTR6HTR2A
Hydrochloric Acid SCHEMBL443808 0.79 SIGMAR1 (0.32) SIGMAR1HTR6HTR2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530908-B2 Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins DSM NV (NL) 2003-06-04 EP disclosed
EP-0530908-B1 Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins DSM NV (NL) 1999-04-21 EP disclosed
US-5646083-A Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins DSM N.V. (NL) 1997-07-08 US disclosed
EP-0530908-A1 Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins DSM N.V. (NL) 1993-03-10 EP disclosed