SCHEMBL673639

SCHEMBL673639

CCCCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.CCCCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.CCCCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.CCCCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.[Mo+4]

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
SCHEMBL672929 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
SCHEMBL15157823 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
SCHEMBL153269 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
SCHEMBL8715449 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
SCHEMBL11418926 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1BID
SCHEMBL672342 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
Potassium Ion SCHEMBL185380 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
Zinc Ion SCHEMBL180553 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
SCHEMBL639835 0.98 MAOA (0.37) MAOAMAOBCYSLTR2CYSLTR1KMT2A
SCHEMBL671989 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 14 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
EP-1183283-B1 MOLYBDENUM-BASED CATALYST COMPOSITION FOR POLYMERIZING CONJUGATED DIENES BRIDGESTONE CORP (JP) 2003-06-11 EP 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-6545107-B2 Reaction product of an molybdenum- containing compound, a silyl phosphonate; and an organoaluminum compound catalyst used for polymerizing conjugated diene monomer BRIDGESTONE CORPORATION (JP) 2003-04-08 US 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-20020198337-A1 Molydenum-based catalyst composition for producing syndiotactic 1,2-polybutadiene BRIDGESTONE CORP. 2002-12-26 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
EP-1183283-A1 MOLYBDENUM-BASED CATALYST COMPOSITION FOR POLYMERIZING CONJUGATED DIENES BRIDGESTONE CORPORATION (JP) 2002-03-06 EP disclosed
US-6348550-B1 ADDITION POLYMERIZATION OF 1,3-BUTADIENE TO SYNDIOTACTIC 1,2-POLYBUTADIENE USING COORDINATION CATALYST COMPRISING MOLYBDENUM COMPOUND, A HYDROGEN PHOSPHITE, AND MIXTURE OF (NON)STERICALLY HINDERED ORGANOALUMINUM COMPOUNDS BRIDGESTONE CORPORATION (JP) 2002-02-19 US disclosed
US-6303692-B1 PROVIDING MIXTURE OF RUBBER CEMENT AND 1,3-BUTADIENE; POLYMERIZING INTO SYNDIOTACTIC 1,2-POLYBUTADIENE BY USING CATALYST FORMULATION COMPRISING MOLYBDENUM COMPOUND, HYDROGEN PHOSPHITE COMPOUND AND ORGANOALUMINUM COMPOUND BRIDGESTONE CORPORATION (JP) 2001-10-16 US disclosed
WO-2000075201-A1 MOLYBDENUM-BASED CATALYST COMPOSITION FOR POLYMERIZING CONJUGATED DIENES BRIDGESTONE CORPORATION (JP) 2000-12-14 WO disclosed