SCHEMBL8666141

SCHEMBL8666141

CC1=C(C)C(C)(C)C([Ti+3])=C1C.C[N-]C.C[N-]C.C[N-]C.Cc1ccc(C=CC=Cc2ccc(C)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.35
RELA Q04206 1/20 0.33
CA1 P00915 1/20 0.33
FBP1 P09467 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPT P10636 1/20 0.31
APP P05067 2/20 0.31
CYP2A6 P11509 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
SCHEMBL8664993 0.87 MAOB (0.45) NFE2L2ALOX5PTGS1PTGS2MAPT
Phenol SCHEMBL8666387 0.86 MAOB (0.34) NFE2L2CA1FBP1MAPT
Hydrochloric Acid SCHEMBL8665386 0.82 MAOB (0.47) NFE2L2ALOX5PTGS1PTGS2MAPT
SCHEMBL8666431 0.81 MAOB (0.45) NFE2L2ALOX5PTGS1PTGS2MAPT
SCHEMBL8664539 0.77 MAOB (0.41) ALOX5MAPT
Phenol SCHEMBL8668190 0.77 MAOB (0.41) ALOX5MAPT
SCHEMBL8665679 0.77 MAOB (0.41) ALOX5MAPT
SCHEMBL8774294 0.76 CTSD (0.32)
Hydrochloric Acid SCHEMBL8670117 0.74 CTSD (0.31)
SCHEMBL8667722 0.73

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 3 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
US-5543480-A USING GROUP 4 METAL COMPLEXES CONTAINING A DIENE MOIETY THE DOW CHEMICAL COMPANY (US) 1996-08-06 US disclosed