SCHEMBL7203683

SCHEMBL7203683

C1=C(c2cccc3ccccc23)C([Zr]2(C3C(c4cccc5ccccc45)=Cc4ccccc43)CC2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP2 O95551 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP3 P42574 1/20 0.33
HTT P42858 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PTPN1 P18031 1/20 0.33
NISCH Q9Y2I1 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
SCHEMBL7201915 0.82 CYP1A2 (0.37)
SCHEMBL6436861 0.81 CYP1A2 (0.34)
SCHEMBL7930433 0.74 CYP11B1 (0.33) CYP11B2
Hydrochloric Acid SCHEMBL6287696 0.74 PTPN1 (0.35) KDM1AMAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7807224 0.74 PTPN1 (0.35) KDM1AMAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL8584663 0.74 PTPN1 (0.35) KDM1AMAPTKDM4EALDH1A1HPGD
SCHEMBL8020332 0.74 PTPN1 (0.35) KDM1AMAPTKDM4EALDH1A1HPGD
SCHEMBL7206931 0.73 GSTP1 (0.34) MAPTKDM4EALDH1A1HPGDNISCH
Hydrochloric Acid SCHEMBL6283798 0.73 PTPN1 (0.34) KDM1AMAPTKDM4EALDH1A1HPGD
SCHEMBL7036428 0.72 MAPT (0.38) MAPTKDM4EALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775148-B2 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 2003-01-02 EP claimed
US-6465384-B1 BISCYCLOPENTADIENYL GROUP 4 TRANSITION METAL COMPLEXES POSSESSING DIENE LIGANDS AND TO USE AS POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY 2002-10-15 US claimed
US-5972822-A Biscyclopentadienyldiene complex containing addition polymerization catalysts THE DOW CHEMICAL COMPANY (US) 1999-10-26 US claimed
EP-0775148-B1 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 1999-08-25 EP claimed
EP-0775148-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-05-28 EP claimed
US-5616664-A Polymerization process with biscyclopentadienyl diene complex containing catalysts THE DOW CHEMICAL COMPANY (US) 1997-04-01 US claimed
WO-1996004290-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1996-02-15 WO claimed
EP-0915098-A2 Biscyclopentadienyl diene complexes, their preparation and catalyst compositions containing them THE DOW CHEMICAL COMPANY (US) 1999-05-12 EP disclosed