SCHEMBL6850808

SCHEMBL6850808

CO[Zr](OC)(OC)C1C=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.35
HTR2A P28223 2/20 0.34
HTR6 P50406 1/20 0.34
SIGMAR1 Q99720 6/20 0.32
CYP2D6 P10635 2/20 0.32
KDM4E B2RXH2 2/20 0.32
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL29480026 1.00 RET (0.35) RETHTR2AHTR6SIGMAR1CYP2D6
SCHEMBL6855151 0.80 SIGMAR1 (0.37) RETHTR2AHTR6SIGMAR1CYP2D6
SCHEMBL29697103 0.78 HTR2A (0.38) RETHTR2AHTR6SIGMAR1CYP2D6
SCHEMBL3685967 0.78 HTR2A (0.38) RETHTR2AHTR6SIGMAR1CYP2D6
SCHEMBL6857385 0.78 RET (0.38) RETHTR2AHTR6SIGMAR1CYP2D6
SCHEMBL29480066 0.78 RET (0.38) RETHTR2AHTR6SIGMAR1CYP2D6
Hydrochloric Acid SCHEMBL7766772 0.78 HTR2A (0.33) RETHTR2AHTR6CYP2D6KDM4E
Hydrochloric Acid SCHEMBL30074160 0.76 HTR2A (0.37) RETHTR2AHTR6SIGMAR1CYP2D6
Hydrochloric Acid SCHEMBL4457343 0.76 KDM4E (0.40) RETHTR2AHTR6SIGMAR1CYP2D6
SCHEMBL8755168 0.74 HTR2A (0.35) RETHTR2AHTR6SIGMAR1

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-6787617-B1 FORMING NARROW MOLECULAR WEIGHT HOMOPOLYMERS AS INTERMEDIATES TO BLOCK OR TERMINAL FUNCTIONALIZED POLYMERS; HAFNIUM OR ZIRCONIUM CYCLOPENTADIENYL FUNCTIONALIZED CATALYSTS WITH TRIPHENYLBORON AND TRIALKYLALUMINUM COMPOUNDS JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2004-09-07 US disclosed
EP-1209171-A1 PROCESS FOR PRODUCING OLEFIN LIVING POLYMER JAPAN as Represented by DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-05-29 EP disclosed