SCHEMBL3280933

SCHEMBL3280933

CCOC(=N)C(C)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 6/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 4/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
CAD P27708 1/20 0.34
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 1/20 0.33
AURKA O14965 1/20 0.32
NTRK1 P04629 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL3281726 0.83 HCAR2 (0.34) ALOX15ALDH1A1HPGDHSD17B10LMNA
SCHEMBL7068066 0.82 ALDH1A1 (0.42) ALOX15ALDH1A1HPGDHSD17B10LMNA
SCHEMBL9024028 0.81 ALDH1A1 (0.36) ALOX15ALDH1A1HSD17B10LMNAGAA
SCHEMBL3280038 0.80 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10LMNACYP1A2
Hydrochloric Acid SCHEMBL7429347 0.80 ALDH1A1 (0.40) ALOX15ALDH1A1HPGDHSD17B10LMNA
SCHEMBL6896763 0.79 ALOX15 (0.52) ALOX15ALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL17765277 0.78 ALDH1A1 (0.39) ALOX15ALDH1A1HPGDHSD17B10LMNA
SCHEMBL3280122 0.77 NAAA (0.47) ALDH1A1LMNAMAPT
SCHEMBL3284943 0.77 ALOX15 (0.44) ALOX15ALDH1A1HPGDHSD17B10LMNA
SCHEMBL17765353 0.76 ALOX15 (0.48) ALOX15ALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1840118-B1 METHOD FOR PRODUCING IMIDE ETHER COMPOUND NIPPOH CHEMICALS (JP) 2016-04-20 EP disclosed
US-7705175-B2 Method for producing imide ether compound NIPPOH CHEMICALS CO., LTD. (JP) 2010-04-27 US disclosed
US-20090005599-A1 Method for Producing Imide Ether Compound NIPPOH CHEMICALS CO., LTD. (JP) 2009-01-01 US disclosed
EP-1840118-A1 METHOD FOR PRODUCING IMIDE ETHER COMPOUND Nippoh Chemicals Co., Ltd (JP) 2007-10-03 EP disclosed
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed