SCHEMBL8322166

SCHEMBL8322166

CCCS(=O)(=O)OS(c1ccccc1)(c1ccccc1)c1cccc(OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
KAT6A Q92794 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PSIP1 O75475 1/20 0.33
PGR P06401 2/20 0.32
HSD11B1 P28845 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ABCB1 P08183 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
SCHEMBL8317619 0.91 PTGES2 (0.37) PTGES2TAS2R14PPARGPPARAKAT6A
SCHEMBL8317872 0.88 TDP1 (0.38) TDP1PPARACYP2C19ALDH1A1PSIP1
SCHEMBL8647880 0.84 PTGES2 (0.39) PTGES2TAS2R14KAT6ACYP3A4CYP2C9
SCHEMBL8645384 0.84 PTGES2 (0.39) PTGES2TAS2R14KAT6ACYP3A4CYP2C9
SCHEMBL6652822 0.82 TDP1 (0.49) TDP1ALDH1A1SMN1; SMN2PSIP1HSD11B1
SCHEMBL8646470 0.79 HDAC3 (0.37) PTGES2KAT6ACYP3A4CYP2C19NR1H2
SCHEMBL3191672 0.79 TSHR (0.39) TDP1ALDH1A1ABCB1
SCHEMBL8319646 0.78 MEN1 (0.38) TDP1PPARACYP2C19ALDH1A1SMN1; SMN2
SCHEMBL6757964 0.77 HTT (0.41) TDP1PTGES2CYP3A4CYP2C19ALDH1A1
SCHEMBL8078746 0.77 HTT (0.41) TDP1PTGES2CYP3A4CYP2C19ALDH1A1

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