SCHEMBL7199847

SCHEMBL7199847

C=CCNc1ccc(C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
ALDH1A1 P00352 8/20 0.41
ALDH1A3 P47895 2/20 0.41
ALDH3A1 P30838 1/20 0.41
CYP2A6 P11509 4/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.35
NSD2 O96028 1/20 0.35
LMNA P02545 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL99646 0.84 CA12 (0.65) CA12CA1CA2CA9ALDH1A1
SCHEMBL6003024 0.83 CA12 (0.55) CA12CA1CA2CA9ALDH1A1
Ethylene Glycol SCHEMBL10456795 0.78 CA12 (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL2297932 0.78 CA12 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL14423965 0.78 CYP2A6 (0.44) ALDH1A1ALDH1A3ALDH3A1CYP2A6HSD17B10
SCHEMBL1585896 0.78 CA12 (0.59) CA12CA1CA2CA9ALDH1A1
SCHEMBL11067660 0.77 HTR7 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL5498510 0.76 ALDH1A1 (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL10987838 0.76 KDM4E (0.41) CA12CA1CA2CA9ALDH1A1
Water SCHEMBL11215220 0.76 CA12 (0.57) CA12CA1CA2CA9ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475221-B1 Syndiotactic 1,2-polybutadiene synthesis in an aqueous medium GOODYEAR TIRE & RUBBER (US) 1995-05-24 EP claimed
EP-0475221-A1 Syndiotactic 1,2-polybutadiene synthesis in an aqueous medium THE GOODYEAR TIRE & RUBBER COMPANY (US) 1992-03-18 EP claimed
US-5011896-A Polymerizing 1,3-butadiene in the presence of a cobalt-aluminum-conjugated diene catalyst, carbon disulfide, and benzaldehyde modifier THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-04-30 US claimed
US-4281019-A 4-[(Unsaturated or cyclopropylated alkyl)amino]phenyl compounds useful as hypolipidemic and antiatherosclerotic agents AMERICAN CYANAMID COMPANY (US) 1981-07-28 US claimed
JP-4234402-A None JP disclosed
EP-0879834-B1 Means to control particle size and eliminate fouling in the synthesis of syndiotactic 1,2-polybutadiene GOODYEAR TIRE & RUBBER (US) 2003-02-05 EP disclosed
US-6284844-B1 CERTAIN SUBSTITUTED BENZOIC ACIDS CAN BE EMPLOYED TO DEACTIVATE TRANSITION METAL BASED CATALYST SYSTEMS. THE GOODYEAR TIRE & RUBBER COMPANY 2001-09-04 US disclosed
US-6013720-A AQUEOUS SLURRIES FOR COATING THE SURFACE OF RUBBER SLABS AND RUBBER PELLETS TO REDUCE THEIR STICKING TENDENCY, COMPRISED OF SYNDIOTACTIC-1,2-POLYBUTADIENE, AND ALSO INCLUDE A SUSPENDING AGENT AND WETTING AGENT THE GOODYEAR TIRE & RUBBER COMPANY (US) 2000-01-11 US disclosed
US-5986026-A CATALYTIC POLYMERIZATION OF BUTADIENE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-11-16 US disclosed
EP-0893222-A2 Partitioning agent for rubber THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-01-27 EP disclosed
EP-0879834-A1 Means to control practicle size and eliminate fouling in the synthesis of syndiotactic 1,2-polybutadiene THE GOODYEAR TIRE & RUBBER COMPANY (US) 1998-11-25 EP disclosed
EP-0877035-A1 Syndiotactic 1,2-polybutadiene synthesis THE GOODYEAR TIRE & RUBBER COMPANY (US) 1998-11-11 EP disclosed
US-5011896-A Polymerizing 1,3-butadiene in the presence of a cobalt-aluminum-conjugated diene catalyst, carbon disulfide, and benzaldehyde modifier THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-04-30 US disclosed
US-5011896-A Polymerizing 1,3-butadiene in the presence of a cobalt-aluminum-conjugated diene catalyst, carbon disulfide, and benzaldehyde modifier THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-04-30 US disclosed
US-4977272-A Radiation absorbers THE STANDARD OIL COMPANY (US) 1990-12-11 US disclosed
US-4281019-A 4-[(Unsaturated or cyclopropylated alkyl)amino]phenyl compounds useful as hypolipidemic and antiatherosclerotic agents AMERICAN CYANAMID COMPANY (US) 1981-07-28 US disclosed
US-4272546-A ANTILIPEMIC, ANTIATHEROSCLEROTIC AMERICAN CYANAMID COMPANY (US) 1981-06-09 US disclosed
US-4198522-A HYPOLIPIDEMIC ACND ANTI-ATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1980-04-15 US disclosed
US-4196208-A ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP disclosed