SCHEMBL7604906

SCHEMBL7604906

CC(C)(C)c1ccc2c(c1)Cc1c-2ccc(C(C)(C)C)c1C(Cc1cccc2c1Cc1ccccc1-2)[Zr](Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 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
SCHEMBL7609319 0.85 PNMT (0.40) PNMTNPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL5367352 0.81 PNMT (0.33) PNMT
SCHEMBL7940045 0.76 PNMT (0.43) PNMTNPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL7609322 0.75 PNMT (0.42) PNMTNPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL5348067 0.72 PNMT (0.51) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL2863177 0.72 NPC1 (0.37) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL5352219 0.71
SCHEMBL5352805 0.70
SCHEMBL868504 0.69 ALDH1A1 (0.53) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL540420 0.69 NPC1 (0.31) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524624-B1 Use of organometallic flurorenyl compounds. PHILLIPS PETROLEUM CO (US) 2002-05-15 EP claimed
EP-0524624-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1993-01-27 EP claimed
US-6420579-B1 SILYL, GERMANIUM OR TIN RADICALS WITH TITANIUM, ZIRCONIUM, HAFNIUM, VANADIUM, NIOBIUM AND TANTALUM METALS PHILLIPS PETROLEUM COMPANY 2002-07-16 US disclosed
US-6403734-B1 POLYMERIZING ALPHA-OLEFIN BY CONTACTING WITH CATALYST SYSTEM COMPRISING BRIDGED FLUORENYL METALLOCENE CONTAINING METAL OF GROUP 4 OR 5 AND SUITABLE COCATALYST PHILLIPS PETROLEUM COMPANY 2002-06-11 US disclosed
EP-0524624-B1 Use of organometallic flurorenyl compounds. PHILLIPS PETROLEUM CO (US) 2002-05-15 EP disclosed
US-6162936-A Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 2000-12-19 US disclosed
US-5571880-A CATALYSTS FOR POLYMERIZATION OF OLEFINS ESPECIALLY TO OBTAIN SYNDIOTACTIC POLYMERS PHILLIPS PETROLEUM COMPANY (US) 1996-11-05 US disclosed
EP-0666267-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-08-09 EP disclosed
US-5436305-A Preparing polymer catalysts by reaction of alkali metal alkyl and fluorenyl in solvent PHILLIPS PETROLEUM COMPANY (US) 1995-07-25 US disclosed
EP-0524624-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1993-01-27 EP disclosed