SCHEMBL8665318

SCHEMBL8665318

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.48
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
TRPA1 O75762 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
SCHEMBL8669737 0.92 MAOB (0.47) MAOBGLATDP1CYP3A4HDAC3
Phenol SCHEMBL8668774 0.84 MAPT (0.40) MAOBCYP3A4ALDH1A1LMNAMAPT
SCHEMBL31659079 0.83 MAOB (0.58) MAOBGLATDP1CYP3A4HDAC3
SCHEMBL5852495 0.77 GLA (0.61) MAOBGLATDP1HDAC3HDAC4
SCHEMBL8669763 0.77 MAPT (0.38) MAOBCYP3A4ALDH1A1LMNAALOX5
SCHEMBL8667080 0.77 MAOB (0.54) MAOBGLATDP1CYP3A4HDAC3
SCHEMBL8666313 0.76 MAOB (0.48) MAOBGLATDP1CYP3A4HDAC3
SCHEMBL9612917 0.70 MAOB (0.61) MAOBGLATDP1CYP3A4HDAC3
SCHEMBL23458007 0.69 MAOB (1.00) MAOBCYP3A4HDAC3HDAC4HDAC1
SCHEMBL6853572 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