SCHEMBL250429

SCHEMBL250429

O=C(O)CCC(C(=O)O)c1cccccc2ccccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.49
MMP2 P08253 2/20 0.49
MMP12 P39900 2/20 0.49
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 1/20 0.46
CPA3 P15088 1/20 0.45
GAA P10253 1/20 0.44
MMP8 P22894 1/20 0.43

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
SCHEMBL248246 0.90 KMT2A (0.44) MMP9MMP2MMP12ALDH1A1CYP2D6
SCHEMBL8970371 0.87 PTGIR (0.45) MMP9MMP2MMP12ALDH1A1CYP2D6
SCHEMBL5694338 0.83 KMT2A (0.46) MMP9MMP2MMP12ALDH1A1HPGD
SCHEMBL8366593 0.83 KMT2A (0.46) MMP9MMP2MMP12ALDH1A1KDM4E
SCHEMBL11069820 0.80 SOAT1 (0.44) ALDH1A1KDM4EPOLBMAPK1HSD17B10
SCHEMBL27538066 0.79 MMP2 (0.46) MMP9MMP2MMP12ALDH1A1CYP2D6
SCHEMBL7980729 0.79 MMP2 (0.49) MMP9MMP2MMP12ALDH1A1CYP2D6
SCHEMBL29418186 0.79 SOAT1 (0.47) ALDH1A1KDM4EKMT2AFFAR1
SCHEMBL11122120 0.79 CYP2C19 (0.46) MMP9MMP2MMP12KMT2AGAA
SCHEMBL9294341 0.79 KCNQ2 (0.53) KDM4EHSD17B10KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9971265-B1 Toner compositions and processes XEROX CORPORATION (US) 2018-05-15 US claimed
US-9740124-B2 Toner compositions and processes XEROX CORPORATION (US) 2017-08-22 US claimed
US-20160349641-A1 TONER COMPOSITIONS AND PROCESSES XEROX CORPORATION (US) 2016-12-01 US claimed
US-9188895-B2 Toner additives for improved charging XEROX CORPORATION (US) 2015-11-17 US claimed
US-9128396-B2 Chemical binding of renewable oils to polyester emulsion XEROX CORPORATION (US) 2015-09-08 US claimed
US-20150168861-A1 TONER ADDITIVES FOR IMPROVED CHARGING XEROX CORPORATION (US) 2015-06-18 US claimed
US-20140178811-A1 CHEMICAL BINDING OF RENEWABLE OILS TO POLYESTER EMULSION XEROX CORPORATION (US) 2014-06-26 US claimed
US-8703379-B2 Chemical binding of renewable oils to polyester emulsion XEROX CORPORATION (US) 2014-04-22 US claimed
US-20140030646-A1 CHEMICAL BINDING OF RENEWABLE OILS TO POLYESTER EMULSION XEROX CORPORATION (US) 2014-01-30 US claimed
US-8088544-B2 Core-shell polymer nanoparticles and method of making emulsion aggregation particles using same XEROX CORPORATION (US) 2012-01-03 US claimed
US-20090220880-A1 GRAFTING FUNCTIONALIZED PEARLESCENT OR METALLIC PIGMENT ONTO POLYESTER POLYMERS FOR SPECIAL EFFECT IMAGES XEROX CORPORATION (US) 2009-09-03 US claimed
US-20090142689-A1 POLYESTER-WAX BASED EMULSION AGGREGATION TONER COMPOSITIONS XEROX CORPORATION (US) 2009-06-04 US claimed
US-20090111040-A1 RESIN-COATED PEARLESCENT OR METALLIC PIGMENT FOR SPECIAL EFFECT IMAGES XEROX CORPORATION (US) 2009-04-30 US claimed
US-20090053644-A1 CORE-SHELL POLYMER NANOPARTICLES AND METHOD FOR MAKING EMULSION AGGREGATION PARTICLES USING SAME XEROX CORPORATION (US) 2009-02-26 US claimed
US-20090035686-A1 CORE-SHELL POLYMER NANOPARTICLES AND METHOD OF MAKING EMULSION AGGREGATION PARTICLES USING SAME XEROX CORPORATION (US) 2009-02-05 US claimed
US-20080236446-A1 Toner processes XEROX CORPORATION 2008-10-02 US claimed
EP-1975729-A1 Tonerprocesses Xerox Corporation (US) 2008-10-01 EP claimed
US-20080197283-A1 EMULSION AGGREGATION TONER COMPOSITIONS AND DEVELOPERS XEROX CORPORATION (US) 2008-08-21 US claimed
US-20060105263-A1 Toner composition XEROX CORPORATION 2006-05-18 US claimed
US-5391452-A Polyester toner and developer compositions XEROX CORPORATION (US) 1995-02-21 US claimed