SCHEMBL668104

SCHEMBL668104

CC(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.38
HTR2A P28223 3/20 0.38
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 2/20 0.34
CYP2D6 P10635 2/20 0.34
BRD4 O60885 1/20 0.34
CCL2 P13500 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
NFKB1 P19838 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL29603716 1.00 SIGMAR1 (0.38) SIGMAR1HTR2AHTR6KDM4ECYP2D6
SCHEMBL6904952 0.98 SIGMAR1 (0.37) SIGMAR1HTR2AHTR6KDM4ECYP2D6
SCHEMBL8770693 0.98 SIGMAR1 (0.37) SIGMAR1HTR2AHTR6KDM4ECYP2D6
Lithium SCHEMBL8770699 0.98 SIGMAR1 (0.37) SIGMAR1HTR2AHTR6KDM4ECYP2D6
SCHEMBL9144863 0.98 SIGMAR1 (0.37) SIGMAR1HTR2AHTR6KDM4ECYP2D6
SCHEMBL9144870 0.98 SIGMAR1 (0.37) SIGMAR1HTR2AHTR6KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7640182 0.96 SIGMAR1 (0.36) SIGMAR1HTR2AHTR6KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7899361 0.96 SIGMAR1 (0.36) SIGMAR1HTR2AHTR6KDM4ECYP2D6
Hydrochloric Acid SCHEMBL6904140 0.96 SIGMAR1 (0.36) SIGMAR1HTR2AHTR6KDM4ECYP2D6
SCHEMBL7711844 0.94 SIGMAR1 (0.35) SIGMAR1HTR2AHTR6KDM4ECYP2D6

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 264 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920432-B1 PREPARATION AND SEPARATION OF RAC AND MESO COMPOUND MIXTURES BOULDER SCIENT CO (US) 2005-08-17 EP claimed
JP-2004514033-A 2004-05-13 JP claimed
EP-0835886-B1 Process for preparing and using meso/racemic-(bis(indenyl)ethane)zirconium dichloride compounds ATOFINA RES (BE) 2004-02-25 EP claimed
EP-1334137-A2 CATALYST SYSTEM AND ITS USE IN OLEFIN POLYMERIZATION Univation Technologies LLC (US) 2003-08-13 EP claimed
US-6605563-B1 Bulky ligand metallocene catalyst, an alumoxane activator, a Group 13 element containing first modifier, and a cycloalkadiene second modifier UNIVATION TECHNOLOGIES, LLC 2003-08-12 US claimed
US-20030149202-A1 CATALYST SYSTEM AND ITS USE IN OLEFIN POLYMERIZATION KAO SUN-CHUEH (US) 2003-08-07 US claimed
US-6552137-B1 Polymerization olefin(s) in the presence of a catalyst system comprising: bulky ligand metallocene catalyst compound; first modifier comprising a Group 13 element containing compound; second modifier comprising a cycloalkadiene and activator UNIVATION TECHNOLOGIES, LLC 2003-04-22 US claimed
US-20020115801-A1 Process for preparing and using meso/racemic-[bis (indenyl) ethane] zirconium dichloride compounds RAZAVI ABBAS (BE) 2002-08-22 US claimed
WO-2002040555-A2 CATALYST SYSTEM AND ITS USE IN OLEFIN POLYMERIZATION UNIVATION TECHNOLOGIES, LLC (US) 2002-05-23 WO claimed
EP-0920432-A4 PREPARATION AND SEPARATION OF RAC AND MESO COMPOUND MIXTURES BOULDER SCIENT CO (US) 2001-08-16 EP claimed
EP-0835886-A1 Process for preparing and using meso/racemic-(bis(indenyl)ethane)zirconium dichloride compounds FINA RESEARCH S.A. (BE) 1998-04-15 EP claimed
US-5707914-A ZIRCONIUM OR HAFNIUM ALKYLS OR ALKOXIDES NIPPON OIL CO., LTD. (JP) 1998-01-13 US claimed
US-5677401-A COORDINATION CATALYST NIPPON OIL CO., LTD. (JP) 1997-10-14 US claimed
US-5670588-A TITANIUM, ZIRCONIUM, OR HAFNIUM COMPOUND, ORGANOCYCLIC HYDROCARBON OR SIICON COMPOUND, MODIFIED ORGANOALUMINUM COMPOUND NIPPON OIL CO., LTD. (JP) 1997-09-23 US claimed
US-5670681-A Process for preparing a carbon-bridged biscyclopentadiene compound HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US claimed
US-5643845-A HAFNIUM OR ZIRCONIUM COMPOUND AND A CYCLOPENTADIENE OR INDENE COMPOUND, HIGH MOLECULAR WEIGHT NIPPON OIL CO., LTD. (JP) 1997-07-01 US claimed
US-5625014-A Method for polymerization of olefins NIPPON OIL CO., LTD. (JP) 1997-04-29 US claimed
WO-1997014727-A1 HOMOGENEOUS METALLOCENE-BASED OLEFIN POLYMERIZATION SYSTEM WITH INCREASED ACTIVITY AMOCO CORPORATION (US) 1997-04-24 WO claimed
US-5594082-A COORDINATION CATALYST, ALUMOXANE, CYCLOPENTADIENE, INDENE, AZULENE OR FLUORENE COMPOUND NIPPON OIL CO., LTD. (JP) 1997-01-14 US claimed
US-5451555-A Catalyst components for polymerization of olefins NIPPON OIL CO., LTD. (JP) 1995-09-19 US claimed