SCHEMBL181720

SCHEMBL181720

C=CC(=O)OCCN1C(=O)C2CCCCC2C1=O.C=CC(=O)OCCOC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
TSHR P16473 5/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.36
CYP3A4 P08684 1/20 0.35
THRB P10828 2/20 0.34

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
SCHEMBL206200 0.92 HTT (0.44) HTTTSHRALDH1A1TP53HIF1A
SCHEMBL8551817 0.87 ALDH1A1 (0.51) HTTTSHRALDH1A1TP53HIF1A
SCHEMBL8552467 0.84 TSHR (0.46) HTTTSHRALDH1A1TP53HIF1A
SCHEMBL7760723 0.80 STAT3 (0.37) HTTTSHRALDH1A1TP53HIF1A
SCHEMBL19358623 0.79 HTT (0.40) HTTALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL22164107 0.79 HTT (0.43) HTTALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL22267294 0.78 HTT (0.33) HTTTP53RAB9ASMN1; SMN2
SCHEMBL1146670 0.77 ATM (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11411997 0.75 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8551822 0.74 TSHR (0.38) HTTTSHRALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2987638-B1 MAINTENANCE SOLUTION FOR ACTIVE ENERGY RAY CURABLE INKJET INK TOYO INK SC HOLDINGS CO LTD (JP) 2020-05-20 EP disclosed
EP-2752469-B1 ACTIVE ENERGY RAY-CURABLE INKJET INK COMPOSITION AND PRINTED MATERIAL USING SAME TOYO INK SC HOLDINGS CO LTD (JP) 2017-07-26 EP disclosed
EP-2987638-A1 MAINTENANCE SOLUTION FOR ACTIVE ENERGY RAY CURABLE INKJET INK Toyo Ink SC Holdings Co., Ltd. (JP) 2016-02-24 EP disclosed
US-20160032226-A1 MAINTENANCE LIQUID FOR ACTIVE ENERGY RAY-CURABLE INKJET INK TOYO INK SC HOLDINGS CO., LTD. (JP) 2016-02-04 US disclosed
US-9040150-B2 Active energy ray-curable inkjet ink composition and printed material using same TOYO INK SC HOLDINGS CO., LTD. (JP) 2015-05-26 US disclosed
US-20140212634-A1 ACTIVE ENERGY RAY-CURABLE INKJET INK COMPOSITION AND PRINTED MATERIAL USING SAME TOYO INK CO., LTD. (JP) 2014-07-31 US disclosed
EP-2752469-A1 ACTIVE ENERGY RAY-CURABLE INKJET INK COMPOSITION, AND PRINTED MATERIAL USING SAME TOYO INK SC HOLDINGS CO., LTD. (JP) 2014-07-09 EP disclosed
EP-2402405-B1 Active energy ray curable inkjet ink composition TOYO INK SC HOLDINGS CO LTD (JP) 2014-05-14 EP disclosed
EP-2228416-B1 Ink composition and hardened material using thereof TOYO INK MFG CO (JP) 2014-02-26 EP disclosed
US-8507573-B2 Active energy ray curable inkjet ink composition TOYO INK SC HOLDINGS CO., LTD. (JP) 2013-08-13 US disclosed
US-8137793-B2 Ink composition and hardened material using thereof TOYO INK MFG. CO., LTD. (JP) 2012-03-20 US disclosed
US-20120003435-A1 ACTIVE ENERGY RAY CURABLE INKJET INK COMPOSITION TOYO INK CO., LTD. (JP) 2012-01-05 US disclosed
EP-2402405-A1 Active energy ray curable inkjet ink composition Toyo Ink SC Holdings Co., Ltd. (JP) 2012-01-04 EP disclosed
US-20100233448-A1 INK COMPOSITION AND HARDENED MATERIAL USING THEREOF TOYO INK MFG. CO., LTD. (JP) 2010-09-16 US disclosed
EP-2228416-A1 Ink composition and hardened material using thereof Toyo Ink Mfg. Co. Ltd. (JP) 2010-09-15 EP disclosed