SCHEMBL4626414

SCHEMBL4626414

CC(C)c1ccccc1OP(Cl)Oc1ccccc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
CYP1A2 P05177 3/20 0.38
KMT2A Q03164 3/20 0.38
NISCH Q9Y2I1 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 2/20 0.38
CYP2C19 P33261 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP2C9 P11712 1/20 0.38
RECQL P46063 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37

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
SCHEMBL12949853 0.91 ESR1 (0.37) GABRA1GABRB2P2RX3P2RX2CYP1A2
SCHEMBL29636737 0.83 GABRA1 (0.43) GABRA1GABRB2P2RX3P2RX2CYP1A2
SCHEMBL2861909 0.83 GABRA1 (0.43) GABRA1GABRB2P2RX3P2RX2CYP1A2
SCHEMBL12949854 0.81 P2RX3 (0.36) GABRA1GABRB2P2RX3P2RX2CYP1A2
SCHEMBL8060858 0.79 GABRA1 (0.45) GABRA1GABRB2P2RX3P2RX2CYP1A2
SCHEMBL9068743 0.77 GABRA1 (0.43) GABRA1GABRB2CYP1A2CYP3A4LMNA
SCHEMBL2603176 0.76 KMT2A (0.41) GABRA1GABRB2P2RX3P2RX2CYP1A2
SCHEMBL141647 0.75 CA1 (0.60) GABRA1GABRB2P2RX3P2RX2CYP1A2
SCHEMBL4575432 0.75 P2RX3 (0.58) GABRA1GABRB2P2RX3P2RX2CYP1A2
SCHEMBL31257131 0.75 CA1 (0.60) GABRA1GABRB2P2RX3P2RX2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2277623-A2 Polymeric phosphorus-containing compositions and their use in hydrocyanation, unsaturated nitrile isomerization and hydroformylation reactions INVISTA Technologies S.à.r.l. (CH) 2011-01-26 EP disclosed
EP-1448298-B1 POLYMERIC PHOSPHORUS-CONTAINING COMPOSITIONS AND THEIR USE IN HYDROCYANATION, UNSATURATED NITRILE ISOMERIZATION AND HYDROFORMYLATION REACTIONS INVISTA TECH SARL (CH) 2010-09-22 EP disclosed
EP-1586598-B1 Process for preparation of polymeric, phosphorus-containing compositions INVISTA TECH SARL (CH) 2009-09-09 EP disclosed
EP-1571172-B1 Polymeric, phosphorus-containing compositions and their use in hydrocyanation, isomerization and hydroformylation reactions INVISTA TECH SARL (CH) 2008-10-22 EP disclosed
EP-1448620-B1 SUPPORTED BIS(PHOSPHORUS)LIGANDS AND THEIR USE IN THE CATALYSIS INVISTA TECH SARL (CH) 2008-06-04 EP disclosed
EP-1905511-A2 Phosphorus-containing compositions and their use in hydrocyanation, isomerization and hydroformylation reactions INVISTA Technologies S.à.r.l. (CH) 2008-04-02 EP disclosed
EP-1214975-B1 Supported bis(phosphorus) ligands and use thereof in hydrocyanation processes INVISTA TECH SARL (US) 2006-03-15 EP disclosed
US-6984604-B2 Supported bis(phosphorus) ligands and their use in the catalysis INVISTA NORTH AMERICA S.A.R.L. (US) 2006-01-10 US disclosed
CN-1617892-A Supported bis(phosphorus) ligands and their use in the catalysis DU PONT (US) 2005-05-18 CN disclosed
EP-1448620-A1 SUPPORTED BIS(PHOSPHORUS)LIGANDS AND THEIR USE IN THE CATALYSIS E. I. du Pont de Nemours and Company (US) 2004-08-25 EP disclosed
EP-0911339-A1 Method of making phosphorochloridites E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-04-28 EP disclosed
US-5874641-A HYDROFORMYLATION CATALYST COMPRISING RHODIUM AND A BIDENTATE PHOSPHITE LIGAND HAVING A 2,2'-DIHYDROXYL-1,1'-BINAPHTHALENE BRIDGE; REACTING CARBON MONOXIDE AND HYDROGEN WITH UNSATURATED HYDROCARBONS, NITRILES OR ESTERS; SELECTIVITY DSM N.V. (NL) 1999-02-23 US disclosed
WO-1999006146-A2 SUPPORTED DIOLS AND SUPPORTED BIS(PHOSPHORUS) LIGANDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-11 WO disclosed
WO-1999006345-A1 IMPROVED PROCESS OF PREPARATION OF LINEAR ALDEHYDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-11 WO disclosed
EP-0888274-A1 PROCESS TO PREPARE A TERMINAL ALDEHYDE DSM N.V. (NL) 1999-01-07 EP disclosed
US-5821378-A USING A NICKEL COMPLEX HAVING MULTIDENTATE PHOSPHITE LIGANDS AS CATALYST; LIQUID PHASE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-10-13 US disclosed
US-5696280-A USING A CATALYST CONTAINING PHOSPHITE GROUPS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-09 US disclosed
EP-0804412-A1 HYDROCYANATION OF DIOLEFINS AND ISOMERIZATION OF NONCONJUGATED 2-ALKYL-3-MONOALKENENITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-05 EP disclosed
WO-1997033854-A1 PROCESS TO PREPARE A TERMINAL ALDEHYDE DSM N.V. (NL) 1997-09-18 WO disclosed
WO-1996022968-A1 HYDROCYANATION OF DIOLEFINS AND ISOMERIZATION OF NONCONJUGATED 2-ALKYL-3-MONOALKENENITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-08-01 WO disclosed