SCHEMBL8317619

SCHEMBL8317619

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.35
PSIP1 O75475 1/20 0.35
PGR P06401 3/20 0.34
HSD11B1 P28845 1/20 0.34
KAT6A Q92794 2/20 0.33
NFE2L2 Q16236 3/20 0.33
KEAP1 Q14145 2/20 0.33
LOX P28300 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL8322166 0.91 TDP1 (0.35) PTGES2TAS2R14PSIP1PGRHSD11B1
SCHEMBL8319646 0.87 MEN1 (0.38) PSIP1HSD11B1PPARALMNAHTT
SCHEMBL8647880 0.87 PTGES2 (0.39) PTGES2TAS2R14PGRHSD11B1KAT6A
SCHEMBL8645384 0.87 PTGES2 (0.39) PTGES2TAS2R14PGRHSD11B1KAT6A
SCHEMBL8646470 0.82 HDAC3 (0.37) PTGES2KAT6ALOX
SCHEMBL8078746 0.80 HTT (0.41) PTGES2NFE2L2KEAP1LMNAHTT
SCHEMBL6757964 0.80 HTT (0.41) PTGES2NFE2L2KEAP1LMNAHTT
SCHEMBL8807744 0.80 PTGES2 (0.40) PTGES2PGRHSD11B1KAT6A
SCHEMBL4485970 0.80 PSIP1 (0.52) PSIP1HSD11B1LMNAHTT
SCHEMBL6760272 0.79 PTGES2 (0.36) PTGES2TAS2R14PGRKAT6ANFE2L2

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