SCHEMBL8668216

SCHEMBL8668216

CC(C)=CC(C)=C[Ti+3].C[N-]C.C[N-]C.C[N-]C.Cc1ccc(C=CC=Cc2ccc(C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
FOS P01100 1/20 0.36
JUN P05412 1/20 0.36
NFE2L2 Q16236 2/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 3/20 0.34
APP P05067 3/20 0.33
RELA Q04206 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
FBP1 P09467 1/20 0.32
RAB9A P51151 2/20 0.31
FGF23 Q9GZV9 1/20 0.31

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
SCHEMBL8669310 0.85 MAOB (0.47) CYP3A4ALOX5MAPTALDH1A1RAB9A
Phenol SCHEMBL8664996 0.84 MAPT (0.37) CA1CYP3A4FOSJUNNFE2L2
SCHEMBL8669763 0.77 MAPT (0.38) CA1CYP3A4CYP2C9CYP2C19FOS
SCHEMBL8666313 0.77 MAOB (0.48) CYP3A4ALOX5MAPTALDH1A1RAB9A
SCHEMBL1292955 0.72 NFE2L2 (0.59) CA1CYP3A4CYP2C9CYP2C19FOS
SCHEMBL372652 0.72 NFE2L2 (0.59) CA1CYP3A4CYP2C9CYP2C19FOS
SCHEMBL8666416 0.71 NFE2L2 (0.38) CA1CYP3A4CYP2C9CYP2C19NFE2L2
SCHEMBL23458148 0.70 NFE2L2 (0.56) CA1CYP3A4CYP2C9CYP2C19NFE2L2
SCHEMBL23458017 0.70 NFE2L2 (0.56) CA1CYP3A4CYP2C9CYP2C19NFE2L2
SCHEMBL29862187 0.70 NFE2L2 (0.56) CA1CYP3A4CYP2C9CYP2C19NFE2L2

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-0767804-B1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS DOW CHEMICAL CO (US) 1998-12-09 EP disclosed
US-5646084-A OLEFIN POLYMERIZATION USING TITANIUM COMPLEX CATALYST AND ACTIVATING COCATALYST THE DOW CHEMICAL COMPANY (US) 1997-07-08 US disclosed
EP-0767804-A1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS THE DOW CHEMICAL COMPANY (US) 1997-04-16 EP disclosed
US-5543480-A USING GROUP 4 METAL COMPLEXES CONTAINING A DIENE MOIETY THE DOW CHEMICAL COMPANY (US) 1996-08-06 US disclosed
WO-1996000742-A1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS THE DOW CHEMICAL COMPANY (US) 1996-01-11 WO disclosed