SCHEMBL4432825

SCHEMBL4432825

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.44
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
PGR P06401 2/20 0.36
NR3C2 P08235 2/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC2 Q92769 1/20 0.33
IDH1 O75874 1/20 0.33
AR P10275 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PLD2 O14939 1/20 0.33
PLD1 Q13393 1/20 0.33
GHSR Q92847 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
SCHEMBL4432828 0.82 NR3C1 (0.40) NR3C1MEN1KMT2AKLKB1MAP4K1
SCHEMBL3811096 0.74 NR3C1 (0.42) NR3C1MEN1KMT2AKLKB1MAP4K1
SCHEMBL22996085 0.74 NR3C1 (0.45) NR3C1MEN1KMT2AKLKB1MAP4K1
SCHEMBL16619194 0.71 NR3C1 (0.45) NR3C1MEN1KMT2AKLKB1MAP4K1
SCHEMBL30042017 0.71 NR3C1 (0.45) NR3C1MEN1KMT2AKLKB1MAP4K1
SCHEMBL27764336 0.69 NR3C1 (0.43) NR3C1
SCHEMBL6668591 0.68 NR3C1 (0.57) NR3C1HRH4PGRNR3C2AR
SCHEMBL1931828 0.68 NR3C1 (0.61) NR3C1PGRNR3C2AR
SCHEMBL3525778 0.67 MTNR1A (0.47) NR3C1KLKB1MAP4K1HRH4PGR
SCHEMBL1633934 0.67 NR3C1 (0.74) NR3C1PGRNR3C2

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-2121670-A2 SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS Bausch & Lomb Incorporated (US) 2009-11-25 EP disclosed
WO-2008088969-A2 SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS BAUSCH & LOMB INCORPORATED (US) 2008-07-24 WO disclosed