SCHEMBL2436673

SCHEMBL2436673

C=CC(=O)OCCOC(=O)NC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 12/20 0.59
ALDH1A1 P00352 5/20 0.47
TSHR P16473 4/20 0.47
TP53 P04637 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.43
CYP3A4 P08684 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL18352522 0.87 EPHX1 (0.58) EPHX1ALDH1A1GAACYP3A4NPC1
SCHEMBL22190104 0.86 EPHX1 (0.47) EPHX1ALDH1A1TSHRTP53HIF1A
SCHEMBL14408950 0.86 EPHX1 (0.61) EPHX1ALDH1A1GAACYP3A4NPC1
SCHEMBL11510008 0.84 TSHR (0.44) EPHX1ALDH1A1TSHRTP53HIF1A
SCHEMBL21304404 0.84 EPHX1 (0.46) EPHX1ALDH1A1TSHRTP53HIF1A
SCHEMBL14685338 0.84 EPHX1 (0.59) EPHX1ALDH1A1GAACYP3A4NPC1
SCHEMBL21189134 0.83 EPHX1 (0.48) EPHX1ALDH1A1TP53HIF1AGAA
SCHEMBL11668705 0.83 ALDH1A1 (0.56) EPHX1ALDH1A1TSHRGAACYP3A4
SCHEMBL16776308 0.82 TSHR (0.42) EPHX1ALDH1A1TSHRTP53HIF1A
SCHEMBL18354902 0.81 EPHX1 (0.56) EPHX1RAB9ASMN1; SMN2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103998008-B Compounded mix particle and preparation method thereof 登特斯普伊德特雷有限公司 2017-08-18 CN disclosed
EP-1866165-B1 INKJET-RECORDING INK SET, INKJET-RECORDING INK AND INKJET IMAGE-RECORDING METHOD FUJIFILM CORP (JP) 2015-08-26 EP disclosed
EP-1874879-B1 INK JET RECORDING INK SET AND INK JET IMAGE RECORDING METHOD FUJIFILM CORP (JP) 2013-05-15 EP disclosed
US-8197051-B2 Ink jet recording ink set and ink jet image recording method FUJIFILM CORPORATION (JP) 2012-06-12 US disclosed
EP-2165828-B1 Resin composition for laser engraving, relief printing plate precursor for laser engraving, relief printing plate and method of producing the same FUJIFILM CORP (JP) 2011-11-09 EP disclosed
US-8011776-B2 Inkjet-recording ink set, inkjet-recording ink and inkjet image-recording method FUJIFILM CORPORATION (JP) 2011-09-06 US disclosed
US-7923197-B2 Lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2011-04-12 US disclosed
US-7923197-B2 Lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2011-04-12 US disclosed
US-7825168-B2 Ink composition, ink jet recording method, method of producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2010-11-02 US disclosed
US-7825168-B2 Ink composition, ink jet recording method, method of producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2010-11-02 US disclosed
US-20070212641-A1 Lithographic printing plate precursor and method for preparation of lithographic printing plate FUJIFILM CORPORATION (JP) 2007-09-13 US disclosed
US-7256222-B2 Radiation-curable ink composition and image recording method FUJIFILM CORPORATION (JP) 2007-08-14 US disclosed
US-20070081062-A1 Ink set and inkjet image recording method FUJI PHOTO FILM CO., LTD. 2007-04-12 US disclosed
US-20070060665-A1 polymerization initiator and a monofunctional (meth)acrylate having a CONH bond in the molecule; acrylate monomer having an amide or carbamate or urea in the side chain; hydrogen bonding increases curing speed and flexibility of film FUJI PHOTO FILM CO., LTD. 2007-03-15 US disclosed
US-20070060665-A1 polymerization initiator and a monofunctional (meth)acrylate having a CONH bond in the molecule; acrylate monomer having an amide or carbamate or urea in the side chain; hydrogen bonding increases curing speed and flexibility of film FUJI PHOTO FILM CO., LTD. 2007-03-15 US disclosed
WO-2006104278-A1 INKJET-RECORDING INK SET, INKJET-RECORDING INK AND INKJET IMAGE-RECORDING METHOD FUJIFILM CORPORATION (JP) 2006-10-05 WO disclosed
WO-2006104284-A1 INK JET RECORDING INK SET AND INK JET IMAGE RECORDING METHOD FUJIFILM CORPORATION (JP) 2006-10-05 WO disclosed
US-20060025498-A1 Inkjet ink and image-forming method using the same FUJI PHOTO FILM CO., LTD. 2006-02-02 US disclosed
US-20060001719-A1 Inkjet-recording ink composition and image-forming process FUJI PHOTO FILM CO., LTD. 2006-01-05 US disclosed
US-20040010052-A1 Radiation-curable ink composition and image recording method FUJIFILM CORPORATION (JP) 2004-01-15 US disclosed