SCHEMBL27554366

SCHEMBL27554366

O=C(COc1ccc(Cl)cc1Cl)OCCO

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
ALDH1A1 P00352 2/20 0.72
MAPT P10636 5/20 0.59
PKM P14618 1/20 0.57
TSHR P16473 2/20 0.56
MAPK1 P28482 2/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.55
ALOX12 P18054 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
THRB P10828 1/20 0.53

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
SCHEMBL27374547 0.92 TDP1 (0.78) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL11059325 0.92 TDP1 (0.66) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374549 0.89 TDP1 (0.84) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374551 0.89 TDP1 (0.84) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374553 0.88 TDP1 (0.82) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374545 0.88 TDP1 (0.82) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374556 0.88 TDP1 (0.72) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374450 0.88 TDP1 (0.72) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374554 0.88 TDP1 (0.72) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374559 0.87 TDP1 (0.71) TDP1L3MBTL1ALDH1A1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532058-B Benzo [1,2,3] thiadiazoles-7-carboxylic ester derivative is as the application of Plant activator 华东理工大学 2016-11-09 CN disclosed
CN-102532058-A Application of aphtho-[1, 2 and 3] benzothiadiazola-7-carboxylic ester derivative serving as plant disease-resistant activating agent UNIV EAST CHINA SCIENCE & TECH 2012-07-04 CN disclosed
CN-1202097-C Diazosulfide compound and application in plant cell thereof UNIV EAST CHINA SCI & ENG (CN) 2005-05-18 CN disclosed
CN-1450057-A Diazosulfide compound and application in plant cell thereof EAST CHINA UNIV OF TECHNOLOGY (CN) 2003-10-22 CN disclosed