SCHEMBL4777029

SCHEMBL4777029

C=C(C)CS(=O)(=O)O.C=CCS(=O)(=O)O.O=S(=O)(O)C=Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 5/20 0.34
GAA P10253 4/20 0.34
NFE2L2 Q16236 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1975163 0.92 HTT (0.43) HTTGLATDP1PPARGGAA
SCHEMBL17310264 0.89 PPARG (0.41) HTTPPARGGAANFE2L2LMNA
SCHEMBL19205765 0.80 GLA (0.47) HTTGLATDP1PPARGGAA
SCHEMBL29993090 0.80 HTT (0.38) HTTGLATDP1PPARGGAA
SCHEMBL20474516 0.78 HTT (0.43) HTTGLATDP1PPARGGAA
SCHEMBL10777428 0.78 HTT (0.43) HTTGLATDP1PPARGGAA
Styrene SCHEMBL2929107 0.78 ALDH1A1 (0.48) HTTGLATDP1LMNAALDH1A1
SCHEMBL9767734 0.77 HTT (0.42) HTTGLATDP1PPARGGAA
Methacrylic Acid SCHEMBL8916077 0.75 TDP1 (0.47) HTTGLATDP1PPARGGAA
Methacrylic Acid SCHEMBL19856372 0.75 TDP1 (0.47) HTTGLATDP1PPARGGAA

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-1900409-A1 AGENT FOR REMOVING BORON AND METHOD FOR REMOVING BORON KOWA COMPANY, LTD. (JP) 2008-03-19 EP disclosed