SCHEMBL4924607

SCHEMBL4924607

CC(C)(C)c1ccccc1[S+](c1ccccc1)c1ccccc1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.33
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RBP4 P02753 3/20 0.31
NPC1 O15118 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA13 Q8N1Q1 2/20 0.31
CA9 Q16790 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL5412875 0.91 NR1I2 (0.35) NR1I2HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL3136340 0.83 KAT6A (0.32) MEN1KMT2ACA12CA1CA2
SCHEMBL5352910 0.83 KMT2A (0.31) HSD11B1ALDH1A1MEN1KMT2ANPSR1
Trifluoromethanesulfonic Acid SCHEMBL1813934 0.82 HSD11B1 (0.40) HSD11B1ALDH1A1
SCHEMBL384538 0.82 CA1 (0.38) CA12CA1CA2CA7CA13
SCHEMBL2898477 0.82 HDAC11 (0.38) NR1I2HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL3136634 0.82 HDAC11 (0.38) NR1I2HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL8083692 0.78 CA12 (0.32) CA12CA1CA2CA7CA13
SCHEMBL2903712 0.78 CA12 (0.32) CA12CA1CA2CA7CA13
Trifluoromethanesulfonic Acid SCHEMBL9179773 0.78 HSD11B1 (0.40) HSD11B1ALDH1A1

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-8795942-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-05 US disclosed
US-20080153030-A1 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-06-26 US disclosed