SCHEMBL1894618

SCHEMBL1894618

CC(C)(N)COC(=O)Nc1ccc(CC2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1.Nc1ccc(CC2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
RORC P51449 2/20 0.43
MAOB P27338 1/20 0.43
CCR3 P51677 7/20 0.42
DNMT1 P26358 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
KCNH2 Q12809 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TGM2 P21980 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL12076546 0.97 HIF1A (0.52) HIF1AEPAS1BCHEACHERORC
SCHEMBL1863758 0.82 RORC (0.52) HIF1AEPAS1RORCCCR3MEN1
SCHEMBL1871271 0.79 HIF1A (0.55) HIF1AEPAS1RORCCCR3DNMT1
SCHEMBL1869907 0.78 CCR3 (0.58) HIF1AEPAS1RORCCCR3MEN1
SCHEMBL1873273 0.77 CCR3 (0.58) HIF1AEPAS1RORCCCR3MEN1
SCHEMBL1862776 0.77 HIF1A (0.71) HIF1AEPAS1RORCCCR3DNMT1
SCHEMBL1869122 0.77 HIF1A (0.57) HIF1AEPAS1RORCCCR3MEN1
SCHEMBL1870500 0.76 HIF1A (0.59) HIF1AEPAS1RORCCCR3DNMT1
SCHEMBL12458982 0.76 HIF1A (0.56) HIF1AEPAS1RORCCCR3DNMT1
SCHEMBL12274806 0.75 CCR3 (0.54) HIF1AEPAS1RORCCCR3MEN1

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
WO-2011051282-A1 (1,1, 1,3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS N.V. ORGANON (NL) 2011-05-05 WO disclosed