SCHEMBL13840945

SCHEMBL13840945

O=C(OCCOc1ccc2c(O)cccc2c1)C(SOOO)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MTNR1A P48039 4/20 0.34
MTNR1B P49286 4/20 0.34
PPARG P37231 3/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 3/20 0.34
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
PTPRC P08575 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 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
SCHEMBL13840930 0.90 CA1 (0.35) CA1CA2MTNR1AMTNR1BPPARG
SCHEMBL2603120 0.90 PPARG (0.35) CA1CA2MTNR1AMTNR1BPPARG
SCHEMBL13840939 0.87 PPARG (0.45) CA1CA2PPARGPPARDPPARA
SCHEMBL14009418 0.83 PPARG (0.36) CA1CA2MTNR1AMTNR1BPPARG
SCHEMBL13840944 0.82 IDO1 (0.37) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL12128713 0.80 PPARG (0.41) CA1CA2MTNR1AMTNR1BPPARG
SCHEMBL13840940 0.78 ALDH1A1 (0.43) ALDH1A1TDP1NPC1MAPTRAB9A
SCHEMBL13842662 0.78 CA1 (0.40) CA1CA2MTNR1AMTNR1BPPARG
SCHEMBL13842656 0.78 CA1 (0.40) CA1CA2MTNR1AMTNR1BPPARG
SCHEMBL2606017 0.78 CA1 (0.39) CA1CA2MTNR1AMTNR1BPPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527910-B2 Salt suitable for an acid generator and a chemically amplified resist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-05 US disclosed
US-20070184382-A1 Salt suitable for an acid generator and a chemically amplified resist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-08-09 US disclosed