SCHEMBL672730

SCHEMBL672730

CCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.CCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.CCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.[Cr+3]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ACSL1 P33121 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
PTGER1 P34995 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL152831 0.99 MAOA (0.43) MAOAMAOBACSL1MAPKAPK2HTT
Lithium Ion SCHEMBL3888152 0.97 MAOA (0.42) MAOAMAOBACSL1MAPKAPK2HTT
SCHEMBL7515697 0.97 MAOA (0.42) MAOAMAOBACSL1MAPKAPK2HTT
SCHEMBL640834 0.97 MAOA (0.42) MAOAMAOBACSL1MAPKAPK2HTT
SCHEMBL16414620 0.97 MAOA (0.42) MAOAMAOBACSL1MAPKAPK2HTT
SCHEMBL672014 0.97 MAOA (0.42) MAOAMAOBACSL1MAPKAPK2HTT
SCHEMBL9340083 0.97 MAOA (0.42) MAOAMAOBACSL1MAPKAPK2HTT
SCHEMBL11323633 0.97 MAOA (0.42) MAOAMAOBACSL1MAPKAPK2HTT
SCHEMBL673532 0.97 MAOA (0.42) MAOAMAOBACSL1MAPKAPK2HTT
Zinc Ion SCHEMBL180631 0.97 MAOA (0.42) MAOAMAOBACSL1MAPKAPK2HTT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252979-A1 Process for Producing Blends of Syndiotactic, 1,2-Polybutadiene and Rubbery Elastomers RADEMACHER CHRISTINE (US) 2012-10-04 US disclosed
US-8067503-B2 Process for producing blends of syndiotactic, 1,2-polybutadiene and rubbery elastomers BRIDGESTONE CORPORATION (JP) 2011-11-29 US disclosed
US-20070161748-A1 PROCESS FOR PRODUCING BLENDS OF SYNDIOTACTIC, 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS BRIDGESTONE CORPORATION 2007-07-12 US disclosed
US-20040242780-A1 using a catalyst that is based on a chromium-containing compound, a hydrogen phosphite, and an organomagnesium compound, or a catalyst based on a molybdenum or iron-compound, a hydrogen phosphite and organoaluminum compound; tire sidewalls; obviates the need for high-temperature mixing BRIDGESTONE CORPORATION (JP) 2004-12-02 US disclosed
WO-2003040231-A1 PROCESS FOR PRODUCING BLENDS OF SYNDIOTACTIC 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS BRIDGESTONE CORPORATION (JP) 2003-05-15 WO disclosed
US-6528588-B2 Polymerization of 1,3-butadiene in the presence of a catalyst made of a chromium compound, a hydrogen phosphite, an organomagnesium compound, a molybdenum containing compound and an organoaluminum compound BRIDGESTONE CORPORATION (JP) 2003-03-04 US disclosed
US-6465585-B2 REACTION PRODUCT OF A CHROMIUM CONTAINING COMPOUND, AN ORGANOMAGNESIUM COMPOUND AND A SILYL PHOSPHONATE BRIDGESTONE CORPORATION (JP) 2002-10-15 US disclosed
US-20020115558-A1 CHROMIUM-BASED CATALYST COMPOSITION FOR PRODUCING CONJUGATED DIENE POLYMERS BRIDGESTONE CORP. 2002-08-22 US disclosed
US-20020037967-A1 Process for producing blends of syndiotactic 1,2-polybutadiene and rubbery elastomers with a chromium-based catalyst system BRIDGESTONE CORPORATION (JP) 2002-03-28 US disclosed
US-6291591-B1 PROVIDING MIXTURE OF RUBBER CEMENT AND 1,3-BUTADIENE; POLYMERIZING 1,3-BUTADIENE BY USING A CATALYST WHICH IS COMBINATION OF OR THE REACTION PRODUCT OF CHROMIUM COMPOUND, HYDROGEN PHOSPHITE, ORGANOMAGNESIUM COMPOUND BRIDGESTONE CORPORATION (JP) 2001-09-18 US disclosed