SCHEMBL8666313

SCHEMBL8666313

C(C=Cc1ccccc1)=Cc1ccccc1.C(C=Cc1ccccc1)=Cc1ccccc1.C(C=Cc1ccccc1)=Cc1ccccc1.CC(C)=CC(C)=C[Ti+3].C[O-].C[O-].C[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
CYP3A4 P08684 1/20 0.42
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 1/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.38

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 0.92 MAOB (0.47) MAOBCYP3A4GLATDP1HDAC3
Phenol SCHEMBL8664996 0.84 MAPT (0.37) MAOBCYP3A4TDP1MAPK1ALDH1A1
SCHEMBL8668216 0.77 CA1 (0.37) MAOBCYP3A4ALDH1A1ALOX5RAB9A
SCHEMBL8665318 0.76 MAOB (0.48) MAOBCYP3A4GLATDP1HDAC3
SCHEMBL11322258 0.70 MAOB (0.61) MAOBCYP3A4GLATDP1HDAC3
SCHEMBL23458007 0.69 MAOB (1.00) MAOBCYP3A4HDAC3HDAC4HDAC1
SCHEMBL5875512 0.69 MAOB (1.00) MAOBCYP3A4HDAC3HDAC4HDAC1
SCHEMBL6853572 0.69 MAOB (1.00) MAOBCYP3A4HDAC3HDAC4HDAC1
Benzene SCHEMBL9803304 0.69 MAOB (1.00) MAOBCYP3A4HDAC3HDAC4HDAC1
SCHEMBL592744 0.69 MAOB (1.00) MAOBCYP3A4HDAC3HDAC4HDAC1

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