SCHEMBL16850002

SCHEMBL16850002

C=Cc1cc(C(C)(O)F)cc(C(O)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.41
NR1H3 Q13133 11/20 0.41
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MLYCD O95822 2/20 0.32
AR P10275 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL847900 0.91 NR1H2 (0.43) NR1H2NR1H3RORARORCMEN1
SCHEMBL12357847 0.89 NR1H2 (0.41) NR1H2NR1H3RORARORCMEN1
SCHEMBL12175976 0.88 NR1H2 (0.40) NR1H2NR1H3RORARORCMEN1
SCHEMBL15496935 0.82 NR1H2 (0.41) NR1H2NR1H3RORARORCMEN1
SCHEMBL15496930 0.80 NR1H2 (0.39) NR1H2NR1H3RORARORCMEN1
SCHEMBL15496923 0.80 NR1H2 (0.39) NR1H2NR1H3RORARORCMEN1
SCHEMBL12635205 0.79 HSD11B1 (0.35) NR1H2NR1H3
SCHEMBL15496922 0.78 PTGS1 (0.39) NR1H2NR1H3RORARORCMEN1
SCHEMBL10165223 0.75 HSD11B1 (0.33) NR1H2NR1H3
SCHEMBL12592974 0.75 NFE2L2 (0.31)

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-9493597-B2 Polymer compound having a specific super strongly acidic sulfo group SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-11-15 US disclosed
US-20150175730-A1 POLYMER COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-06-25 US disclosed