SCHEMBL3811096

SCHEMBL3811096

CC(C)CC(O)(NCc1cc2cc(C(F)(F)F)ccc2[nH]1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.42
AR P10275 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KLKB1 P03952 1/20 0.36
MAP4K1 Q92918 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
HDAC2 Q92769 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
CASR P41180 1/20 0.33
IDH1 O75874 1/20 0.33
P2RY14 Q15391 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL4431838 0.84 CASR (0.48) NR3C1PGRNR3C2CASR
SCHEMBL6668591 0.81 NR3C1 (0.57) NR3C1ARHRH4PGRNR3C2
SCHEMBL3826671 0.77 NR3C1 (0.45) NR3C1PGR
SCHEMBL4432828 0.75 NR3C1 (0.40) NR3C1ARMEN1KMT2AKLKB1
SCHEMBL4432825 0.74 NR3C1 (0.44) NR3C1ARMEN1KMT2AKLKB1
SCHEMBL3817477 0.74 NR3C1 (0.45) NR3C1NR3C2
SCHEMBL3825739 0.73 AAK1 (0.31) NR3C1NR3C2
SCHEMBL1931828 0.71 NR3C1 (0.61) NR3C1ARPGRNR3C2
SCHEMBL16619194 0.71 NR3C1 (0.45) NR3C1ARMEN1KMT2AKLKB1
SCHEMBL30042017 0.71 NR3C1 (0.45) NR3C1ARMEN1KMT2AKLKB1

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
EP-2086921-A2 SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS Bausch & Lomb Incorporated (US) 2009-08-12 EP disclosed
WO-2008060799-A2 SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS BAUSCH & LOMB INCORPORATED (US) 2008-05-22 WO disclosed