SCHEMBL671989

SCHEMBL671989

CCCCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.CCCCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.CCCCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.[Cr+3]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYSLTR2 Q9NS75 6/20 0.34
CYSLTR1 Q9Y271 6/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A1 P04798 1/20 0.33
MEN1 O00255 1/20 0.33
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33
KAT8 Q9H7Z6 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2A Q92830 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT5 Q92993 1/20 0.33
SAE1 Q9UBE0 1/20 0.33

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
SCHEMBL672342 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
SCHEMBL672929 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
SCHEMBL153269 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
Potassium Ion SCHEMBL185380 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
SCHEMBL11418926 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1BID
SCHEMBL15157823 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
SCHEMBL673639 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
Zinc Ion SCHEMBL180553 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
SCHEMBL639835 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
SCHEMBL8715449 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A

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