SCHEMBL16178704

SCHEMBL16178704

CCCCC(C=CC#N)=C(C=CC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.38
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CES1 P23141 2/20 0.32
PLA2G1B P04054 4/20 0.31
ATG4B Q9Y4P1 4/20 0.31
CES2 O00748 1/20 0.31
PPARG P37231 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL7215358 0.82 CES1 (0.33) CES1
Styrene SCHEMBL16178706 0.81 LMNA (0.35) HCAR2CES1PLA2G1BATG4BCES2
SCHEMBL183140 0.80 HDAC3 (0.43) HCAR2ACHEKMT2A
SCHEMBL3430615 0.78 HDAC3 (0.44) HCAR2ACHEKMT2A
SCHEMBL9318615 0.77 APEX1 (0.32) CES1
SCHEMBL9067799 0.74 HDAC3 (0.41) ACHE
SCHEMBL1973241 0.74 HCAR2 (0.37) HCAR2ZDHHC20ACHEBACE1CES1
SCHEMBL987787 0.72 HDAC3 (0.49) HCAR2KMT2A
SCHEMBL9168046 0.72 TSHR (0.35) HCAR2MEN1KMT2A
SCHEMBL1973731 0.69 ZDHHC20 (0.40) HCAR2ZDHHC20MEN1KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3525043-B1 METHOD OF PRODUCING TONERS ESHIBITING REDUCED MACHINE ULTRAFINE PARTICLE (UFP) EMISSIONS XEROX CORP (US) 2023-10-25 EP disclosed
US-10409185-B2 Toners exhibiting reduced machine ultrafine particle (UFP) emissions and related methods XEROX CORPORATION (US) 2019-09-10 US disclosed
EP-3525043-A1 TONERS EXHIBITING REDUCED MACHINE ULTRAFINE PARTICLE (UFP) EMISSIONS AND RELATED METHODS Xerox Corporation (US) 2019-08-14 EP disclosed
US-20190243271-A1 TONERS EXHIBITING REDUCED MACHINE ULTRAFINE PARTICLE (UFP) EMISSIONS AND RELATED METHODS XEROX CORPORATION 2019-08-08 US disclosed
US-9639015-B2 Emulsion aggregation toners XEROX CORPORATION (US) 2017-05-02 US disclosed
US-20150160574-A1 EMULSION AGGREGATION TONERS XEROX CORPORATION (US) 2015-06-11 US disclosed
US-9029057-B2 Single component developer composition XEROX CORPORATION (US) 2015-05-12 US disclosed
US-20140315127-A1 Single Component Developer Composition XEROX CORPORATION (US) 2014-10-23 US disclosed