SCHEMBL8317872

SCHEMBL8317872

CCCS(=O)(=O)OS(c1ccccc1)(c1ccccc1)c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP2 P08253 3/20 0.36
ABCB1 P08183 2/20 0.36
MMP9 P14780 2/20 0.36
MMP14 P50281 2/20 0.36
MMP7 P09237 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
PPARA Q07869 1/20 0.35
PSIP1 O75475 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP1 P03956 1/20 0.34
MMP13 P45452 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL8319646 0.90 MEN1 (0.38) TDP1ALDH1A1TSHRMEN1MAPT
SCHEMBL3191672 0.90 TSHR (0.39) TDP1ALDH1A1TSHRABCB1MMP9
SCHEMBL8322166 0.88 TDP1 (0.35) TDP1ALDH1A1ABCB1PPARAPSIP1
SCHEMBL6652822 0.85 TDP1 (0.49) TDP1ALDH1A1TSHRMEN1MAPT
SCHEMBL7575486 0.83 ALDH1A1 (0.43) TDP1ALDH1A1MAPTPSIP1ESR2
SCHEMBL8646731 0.82 HSD11B1 (0.38) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL8651818 0.82 HSD11B1 (0.38) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL8320144 0.81 PPARA (0.39) TDP1ALDH1A1MEN1MAPTKMT2A
SCHEMBL3197600 0.81 TDP1 (0.40) TDP1ALDH1A1MEN1MAPTKMT2A
SCHEMBL8316984 0.81 PPARA (0.39) TDP1ALDH1A1MEN1MAPTKMT2A

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-5880169-A HAVING HIGH RESOLUTION FOR FINE PATTERNING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-09 US disclosed