SCHEMBL6652893

SCHEMBL6652893

CC1(C)C2=C([Zr])CC(C3c4ccccc4-c4ccccc43)=C21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.33
PTGS2 P35354 1/20 0.33
HRH1 P35367 1/20 0.33
HTR3A P46098 1/20 0.33
PDE4D Q08499 1/20 0.33
HTR2A P28223 2/20 0.32
GPR3 P46089 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM1A O60341 2/20 0.30
MAOA P21397 2/20 0.30
MAOB P27338 2/20 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
SCHEMBL6651543 0.73 ADRA2C (0.36) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL29116619 0.61 HTR2A (0.50) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL29370508 0.59 LMNA (0.54) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL25171318 0.59 LMNA (0.54) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL70993 0.59 LMNA (0.54) ADRA2CPTGS2HRH1HTR3APDE4D
Hydrochloric Acid SCHEMBL7208697 0.58 ADRA2C (0.35) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL29605241 0.57 MEN1 (0.61) HTR2AGPR3MAOB
SCHEMBL7084362 0.57 HTR2A (0.41) HTR2AGPR3MAOAMAOB
SCHEMBL8412884 0.57 MEN1 (0.61) HTR2AGPR3MAOB
SCHEMBL29945705 0.56 GPR3 (0.50) HTR2AGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257587-B1 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS DOW GLOBAL TECHNOLOGIES INC (US) 2004-06-23 EP claimed
EP-0775148-B2 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 2003-01-02 EP disclosed
EP-1257587-A2 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS THE DOW CHEMICAL COMPANY (US) 2002-11-20 EP disclosed
WO-2001004164-A2 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS THE DOW CHEMICAL COMPANY (US) 2001-01-18 WO disclosed
US-5679816-A REACTING A GROUP 4 METAL SALT, A CONJUGATED DIENE, A REDUCING AGENT AND A CYCLOPENTADIENE COMPOUND THE DOW CHEMICAL COMPANY (US) 1997-10-21 US disclosed