SCHEMBL2345733

SCHEMBL2345733

CCCCCOCCCCC.CCCC[Sn]CCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.41
CES2 O00748 2/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.35
SPHK1 Q9NYA1 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 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
SCHEMBL2344544 0.98 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL2347646 0.98 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL2344032 0.98 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL2345406 0.95 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL2344781 0.93 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL9466593 0.93 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL2351301 0.93 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL10540819 0.93 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL2341894 0.93 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL982256 0.93 HTT (0.54) HTTMEN1THRBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640357-B1 METHOD FOR PRODUCING AROMATIC CARBONATE ASAHI KASEI CHEMICALS CORP (JP) 2011-08-31 EP disclosed
US-7652122-B2 Method for producing an aromatic carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-01-26 US disclosed
US-20070055042-A1 Method for producing an aromatic carbonate ASAHI KASEI KABUSHIKI KAISHA (JP) 2007-03-08 US disclosed
EP-1640357-A1 METHOD FOR PRODUCING AROMATIC CARBONATE Asahi Kasei Chemicals Corporation (JP) 2006-03-29 EP disclosed