SCHEMBL352563

SCHEMBL352563

C=CCOCC(C(=O)OC1CCCCCCCCC1)=C(C1CCCCCCCCC1)C1CCCCCCCCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.31
NAAA Q02083 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 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
SCHEMBL351554 0.80 EPHX1 (0.36) EPHX1ALDH1A1GAACYP2C19NAAA
SCHEMBL352819 0.78 EPHX1 (0.33) EPHX1ALDH1A1GAACYP2C19NAAA
SCHEMBL2791850 0.76 EPHX1 (0.40) EPHX1ALDH1A1CYP2C19NAAAMAPT
Acrylamide SCHEMBL8396889 0.75 EPHX1 (0.33) EPHX1ALDH1A1CYP2C19NAAAHTT
SCHEMBL352096 0.73 GRIK1 (0.33) EPHX1
SCHEMBL353056 0.69 CYP19A1 (0.34)
SCHEMBL352562 0.69 ALDH1A1 (0.35) ALDH1A1GAANPC1MAPTRAB9A
SCHEMBL11590287 0.67 ALDH1A1 (0.44) EPHX1ALDH1A1GAACYP2C19NAAA
SCHEMBL10448619 0.67 ALDH1A1 (0.44) EPHX1ALDH1A1GAACYP2C19NAAA
SCHEMBL112347 0.67 EPHX1 (0.41) EPHX1ALDH1A1GAACYP2C19NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037758-A1 Ink Composition For Three-Dimensional Modeling, Ink Set, And Method For Producing Three-Dimensional Model Konica Minolta, Inc. (JP) 2018-02-08 US disclosed
EP-2415751-B1 ALPHA-(UNSATURATED ALKOXYALKYL) ACRYLATE COMPOSITION AND PROCESS FOR PRODUCTION THEREOF NIPPON CATALYTIC CHEM IND (JP) 2014-11-26 EP disclosed
US-8796492-B2 α-(unsaturated alkoxyalkyl) acrylate composition and process for production thereof NIPPON SHOKUBAI CO., LTD. (JP) 2014-08-05 US disclosed
EP-2415751-A1 ALPHA-(UNSATURATED ALKOXYALKYL) ACRYLATE COMPOSITION AND PROCESS FOR PRODUCTION THEREOF Nippon Shokubai Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120016095-A1 a-(UNSATURATED ALKOXYALKYL) ACRYLATE COMPOSITION AND PROCESS FOR PRODUCTION THEREOF NIPPON SHOKUBAI CO., LTD. (JP) 2012-01-19 US disclosed