SCHEMBL1243205

SCHEMBL1243205

CCCC(=O)C(C=O)CC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
FFAR3 O14843 3/20 0.36
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
GAPDH P04406 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL28173881 0.98 CES2 (0.36) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL28850581 0.98 CES2 (0.36) CES2CES1HDAC3HDAC1HDAC2
Sulfurous Acid SCHEMBL27988859 0.88 FFAR3 (0.35) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL9790318 0.86 CES2 (0.42) CES2CES1TSHRSMN1; SMN2ALDH1A1
SCHEMBL13184671 0.83 CES2 (0.53) CES2CES1TSHRALDH1A1
SCHEMBL17512853 0.80 TSHR (0.34) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL12639173 0.80 CES2 (0.33) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL19227949 0.80 TSHR (0.43) CES2CES1TSHRSMN1; SMN2GAPDH
SCHEMBL1807738 0.80
SCHEMBL11600928 0.79 CES2 (0.36) CES2CES1HDAC3HDAC1HDAC2

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
US-7659358-B2 Binders containing ortho ester groups BAYER MATERIALSCIENCE AG (DE) 2010-02-09 US claimed
US-20170260372-A1 THERMOPLASTIC MOULDING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2017-09-14 US disclosed
EP-2487209-B1 Ink composition, ink set and inkjet image forming method FUJIFILM CORP (JP) 2013-08-28 EP disclosed
EP-2487209-A1 Ink composition, ink set and inkjet image forming method Fujifilm Corporation (JP) 2012-08-15 EP disclosed
EP-2311645-A1 INKJET RECORDING METHOD FUJIFILM Corporation (JP) 2011-04-20 EP disclosed
US-20110043578-A1 IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-02-24 US disclosed
US-4219508-A FROM CONDENSATION OF UNPURIFIED FORMALDEHYDE BAYER AKTIENGESELLSCHAFT (DE) 1980-08-26 US disclosed