SCHEMBL5680463

SCHEMBL5680463

Cc1cc(C)c2ccc3c(C)c(C)cnc3c2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.68
CCR8 P51685 5/20 0.68
CCR5 P51681 4/20 0.68
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 3/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.40
CYP1A2 P05177 3/20 0.39
CRHR1 P34998 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
OPRK1 P41145 1/20 0.37
L3MBTL1 Q9Y468 5/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL459073 0.82 KDM4E (0.61) CCR1CCR8CCR5KDM4EALDH1A1
SCHEMBL136654 0.82 CCR1 (1.00) CCR1CCR8CCR5ALDH1A1GAA
SCHEMBL28297883 0.82 CCR1 (1.00) CCR1CCR8CCR5ALDH1A1GAA
SCHEMBL11731095 0.80 CCR1 (0.95) CCR1CCR8CCR5GAATDP1
Water SCHEMBL28424933 0.80 CCR1 (0.95) CCR1CCR8CCR5GAATDP1
SCHEMBL28229864 0.80 CCR1 (0.95) CCR1CCR8CCR5GAATDP1
SCHEMBL30753486 0.80 CCR1 (0.95) CCR1CCR8CCR5GAATDP1
SCHEMBL29569064 0.80 CCR1 (0.95) CCR1CCR8CCR5GAATDP1
SCHEMBL29354722 0.80 CCR1 (0.95) CCR1CCR8CCR5GAATDP1
SCHEMBL862525 0.80 CCR1 (0.70) CCR1CCR8CCR5KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002533312-A 2002-10-08 JP claimed
EP-1140774-A1 PROCESS FOR THE PRODUCTION OF DIARYL CARBONATES GENERAL ELECTRIC COMPANY (US) 2001-10-10 EP claimed
US-6207848-B1 CATALYTIC REACION OF A AROMATIC HYDROXY COMPOUND GENERAL ELECTRIC COMPANY 2001-03-27 US claimed
WO-2000037415-A1 PROCESS FOR THE PRODUCTION OF DIARYL CARBONATES GENERAL ELECTRIC COMPANY (US) 2000-06-29 WO claimed
CN-1318381-C Process for producing diaryl carbonate BAYER AG (DE) 2007-05-30 CN disclosed
US-7091370-B2 Process for the preparation of diaryl carbonates BAYER AKTIENGESELLSCHAFT (DE) 2006-08-15 US disclosed
US-7084291-B2 Water resistant catalyst for the production of diaryl carbonates via the direct carbonylation of phenolic compounds GENERAL ELECTRIC COMPANY (US) 2006-08-01 US disclosed
EP-1228120-B1 METHOD FOR PREPARING POLYCARBONATES BY OXIDATIVE CARBONYLATION GEN ELECTRIC (US) 2006-05-31 EP disclosed
EP-1427693-B1 METHOD FOR PRODUCING DIARYLCARBONATES BAYER MATERIALSCIENCE AG (DE) 2006-03-01 EP disclosed
CN-1692095-A Process for producing diaryl carbonate BAYER AG (DE) 2005-11-02 CN disclosed
CN-1217914-C Method for preparation of carbonates by continuous process GEN ELECTRIC (US) 2005-09-07 CN disclosed
US-20050085656-A1 Water resistant catalyst for the production of diaryl carbonates via the direct carbonylation of phenolic compounds GENERAL ELECTRIC COMPANY 2005-04-21 US disclosed
EP-0583937-B1 Method for making aromatic carbonates GEN ELECTRIC (US) 1997-01-22 EP disclosed
EP-0583935-B1 Method for making aromatic carbonates GEN ELECTRIC (US) 1996-11-20 EP disclosed
US-5312955-A Method for making aromatic organic carbonates GENERAL ELECTRIC COMPANY (US) 1994-05-17 US disclosed
EP-0583935-A1 Method for making aromatic carbonates GENERAL ELECTRIC COMPANY (US) 1994-02-23 EP disclosed
EP-0583938-A1 Method for making aromatic organic carbonates GENERAL ELECTRIC COMPANY (US) 1994-02-23 EP disclosed
EP-0583937-A1 Method for making aromatic carbonates GENERAL ELECTRIC COMPANY (US) 1994-02-23 EP disclosed
US-5284964-A Catalytic carbonylation of phenol with palladium and organic cocatalyst, such as terpyridine GENERAL ELECTRIC COMPANY (US) 1994-02-08 US disclosed
US-5231210-A Catalytic carbonylation of a phenol compound GENERAL ELECTRIC COMPANY (US) 1993-07-27 US disclosed