SCHEMBL27477276

SCHEMBL27477276

C=C(CCC)C(=O)ONC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC3 O15379 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC6 Q9UBN7 1/20 0.34
FFAR3 O14843 3/20 0.33
CTSD P07339 1/20 0.33
TSHR P16473 3/20 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
SCHEMBL515574 0.82
SCHEMBL29163849 0.81 ALDH1A1 (0.34) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL1298570 0.79
SCHEMBL28225762 0.79 CTSD (0.35) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL28109408 0.78 ALDH1A1 (0.32) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL28822140 0.77 CES1 (0.50) ALDH1A1CES2CES1HDAC3HDAC1
Ammonia Solution, Strong SCHEMBL27414294 0.77 ALDH1A1 (0.44) ALDH1A1CES2CES1HDAC3HDAC1
Butane SCHEMBL27785211 0.76 ALDH1A1 (0.31) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL27729609 0.75 ALDH1A1 (0.38) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL27973519 0.75 ZDHHC20 (0.37) ALDH1A1CTSDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101429260-B Polymethacrylate, preparation method and application thereof SHANGHAI INST APPLIED PHYSICS 2010-12-01 CN disclosed
CN-101429260-A Polymethacrylate, preparation method and application thereof SHANGHAI INST APPLIED PHYSICS (CN) 2009-05-13 CN disclosed
CN-100439946-C Pigment-dispersing type radiation-sensitive resin composition and method of forming colored pattern TOKYO OHKA KOGYO CO LTD (JP) 2008-12-03 CN disclosed
CN-1892264-A Pigment-dispersing type radiation-sensitive resin composition and method of forming colored pattern TOKYO OHKA KOGYO CO LTD (JP) 2007-01-10 CN disclosed
CN-1615350-A Pressure sensitive adhesives containing quaternary ammonium functionality, articles thereof and methods of making 3M INNOVATIVE PROPERTIES CO (US) 2005-05-11 CN disclosed
CN-1174745-C Use of coating as taste masking agent for oral preparation BASF 2004-11-10 CN disclosed
CN-1300590-A Use of coating as taste masking agent for oral preparation BASF AG (DE) 2001-06-27 CN disclosed