SCHEMBL8669763

SCHEMBL8669763

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
CA1 P00915 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
FOS P01100 1/20 0.36
JUN P05412 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
NFE2L2 Q16236 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 4/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL8669737 0.85 MAOB (0.47) MAPTCYP3A4CYP2C9ALOX5ALDH1A1
Phenol SCHEMBL8668774 0.84 MAPT (0.40) MAPTCA1CYP3A4FOSJUN
SCHEMBL8666416 0.78 NFE2L2 (0.38) MAPTCA1CYP3A4CYP2C19CYP2C9
SCHEMBL8668216 0.77 CA1 (0.37) MAPTCA1CYP3A4CYP2C19CYP2C9
SCHEMBL8665318 0.77 MAOB (0.48) MAPTCYP3A4CYP2C9ALOX5ALDH1A1
SCHEMBL1292955 0.72 NFE2L2 (0.59) MAPTCA1CYP3A4CYP2C19CYP2C9
SCHEMBL372652 0.72 NFE2L2 (0.59) MAPTCA1CYP3A4CYP2C19CYP2C9
SCHEMBL23458148 0.70 NFE2L2 (0.56) MAPTCA1CYP3A4CYP2C19CYP2C9
SCHEMBL23458017 0.70 NFE2L2 (0.56) MAPTCA1CYP3A4CYP2C19CYP2C9
SCHEMBL29862187 0.70 NFE2L2 (0.56) MAPTCA1CYP3A4CYP2C19CYP2C9

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