SCHEMBL28123754

SCHEMBL28123754

O=S(O)OCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.51
FFAR4 Q5NUL3 2/20 0.51
MMP1 P03956 2/20 0.49
ALKBH1 Q13686 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
CETP P11597 1/20 0.48
FDFT1 P37268 2/20 0.45
AKR1C3 P42330 1/20 0.45
PTGES O14684 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7701590 0.80 TSHR (0.48) TDP1
Ammonia Solution, Strong SCHEMBL8697956 0.79 TSHR (0.46) TDP1
SCHEMBL11204451 0.78 MMP1 (0.55) FFAR1FFAR4MMP1MMP2MMP9
SCHEMBL2354114 0.77 TSHR (0.56) FFAR1FFAR4MMP1MMP2MMP9
SCHEMBL9491438 0.75 FFAR1 (0.68) FFAR1FFAR4
SCHEMBL27769880 0.75 IDO1 (0.55) MMP1MMP2MMP9MMP12
SCHEMBL28827952 0.74 MMP1 (0.59) FFAR1FFAR4MMP1MMP2MMP9
SCHEMBL6667358 0.74 MMP1 (0.59) FFAR1FFAR4MMP1MMP2MMP9
SCHEMBL6828109 0.74 TSHR (0.66) FFAR1FFAR4MMP1MMP2MMP9
SCHEMBL2966035 0.74 ALDH1A1 (0.66) FFAR1FFAR4MMP1MMP2MMP9

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
CN-106495994-A A kind of preparation method of ethofenprox 天津市津绿宝农药制造有限公司 2017-03-15 CN disclosed