SCHEMBL9779140

SCHEMBL9779140

O=S(=O)(c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.56
MMP2 P08253 10/20 0.56
MMP14 P50281 3/20 0.56
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR3C1 P04150 1/20 0.50
MMP3 P08254 3/20 0.49
MMP13 P45452 2/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
MMP1 P03956 4/20 0.48
FFAR4 Q5NUL3 1/20 0.47
MMP8 P22894 2/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
NAMPT P43490 1/20 0.46

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
SCHEMBL10983944 0.86 HTR6 (0.54) MMP9MMP2HTTSMN1; SMN2NR3C1
SCHEMBL7937431 0.86 HSD11B1 (0.49) MMP9MMP2MMP14BCHEACHE
SCHEMBL9779083 0.86 HTT (0.56) MMP9MMP2MMP14HTTSMN1; SMN2
SCHEMBL6925883 0.85 PTGS2 (0.60) MMP9MMP2MMP14NR3C1MMP3
SCHEMBL5482429 0.85 MMP9 (0.54) MMP9MMP2MMP14NR3C1MMP3
SCHEMBL3310741 0.85 MMP9 (0.54) MMP9MMP2MMP14HTTNR3C1
SCHEMBL10985063 0.85 ALDH1A1 (0.59) MMP9MMP2MMP14BCHEACHE
SCHEMBL7937278 0.85 PKM (0.59) MMP9MMP2MMP14MMP3MMP13
SCHEMBL10988447 0.85 BCHE (0.66) HTTSMN1; SMN2BCHEACHEFFAR4
SCHEMBL9778890 0.85 HTT (0.47) MMP9MMP2MMP14HTTSMN1; SMN2

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
US-5066409-A Novel aryl ether sulfones THE DOW CHEMICAL COMPANY (US) 1991-11-19 US disclosed