Butanol

Butanol

SCHEMBL2067053

CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(=O)c3ccco3)C[C@@]21C.CCC(C)O

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.71
PGR P06401 4/20 0.71
AR P10275 4/20 0.71
NR3C2 P08235 2/20 0.71
CNR1 P21554 1/20 0.71
PTGS1 P23219 1/20 0.71
CYP3A4 P08684 5/20 0.67
ADORA3 P0DMS8 2/20 0.67
NR1I2 O75469 1/20 0.67
CHRM1 P11229 1/20 0.53
ADRA1A P35348 1/20 0.53
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL9468 0.96 NR3C1 (0.76) NR3C1PGRARNR3C2CNR1
SCHEMBL15555726 0.95 NR3C1 (0.74) NR3C1PGRARNR3C2CNR1
SCHEMBL377593 0.93 NR3C1 (0.71) NR3C1PGRARNR3C2CNR1
Dimethylformamide SCHEMBL378085 0.92 NR3C1 (0.70) NR3C1PGRARNR3C2CNR1
SCHEMBL158996 0.90 NR3C1 (0.70) NR3C1PGRARNR3C2CNR1
SCHEMBL16474144 0.88 NR3C1 (0.82) NR3C1PGRARNR3C2CNR1
SCHEMBL13581363 0.87 NR3C1 (0.83) NR3C1PGRARNR3C2CNR1
SCHEMBL4284 0.86 NR3C1 (0.83) NR3C1PGRARNR3C2CNR1
SCHEMBL16479362 0.86 NR3C1 (0.80) NR3C1PGRARNR3C2CNR1
Acetone SCHEMBL14645259 0.85 NR3C1 (0.81) NR3C1PGRARNR3C2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148353-B2 Polymorphs of fluticasone furoate and process for preparation thereof PLUS CHEMICALS SA (CH) 2012-04-03 US claimed