SCHEMBL12425825

SCHEMBL12425825

O=C(OCC1(COC(=O)c2ccccc2)CSSC1)C1=CCCC=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
F2 P00734 1/20 0.35
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
PRKCA P17252 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL12425826 0.84 TDP1 (0.50) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL23654831 0.75 ALDH1A1 (0.47) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL14607795 0.74 LMNA (0.42) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL9269862 0.70 TDP1 (0.55) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL13393049 0.70 ALDH1A1 (0.43) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL8496636 0.70 TDP1 (0.50) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL23655420 0.69 ADRB2 (0.41) TDP1KMT2AMAPK1HIF1ASLC6A3
SCHEMBL1785702 0.68 TDP1 (0.45) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL1713120 0.67 TDP1 (0.50) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL11411657 0.67 ALOX15 (0.43) TDP1MAPK1SLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423685-B1 ARRAY OF PIEZOELECTRIC RESONATORS FOR THE DETECTION OF TRACE AMOUNTS OF A SUBSTANCE M S TECH LTD (IL) 2011-08-24 EP disclosed