SCHEMBL8639619

SCHEMBL8639619

CCOC(=O)C(F)(F)F.O=C(CC(=O)C(F)(F)F)c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.46
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ACKR3 P25106 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL1924321 0.86 PLOD2 (0.59) PLOD2MAPTPOLBRAB9ACES2
SCHEMBL2080446 0.79 CES2 (0.49) MAPTPOLBRAB9ACES2CES1
SCHEMBL1925762 0.77 CES2 (0.44) MAPTHTTPOLBRAB9ACES2
SCHEMBL25415875 0.77 MAPT (0.47) MAPTPOLBRAB9ACES2CES1
SCHEMBL1925754 0.74 CES2 (0.41) MAPTHTTPOLBRAB9ACES2
SCHEMBL5117814 0.74 PLOD2 (0.59) PLOD2MAPTHTTPOLBCES2
SCHEMBL9234534 0.74 CES2 (0.46) MAPTHTTPOLBRAB9ACES2
SCHEMBL2031624 0.73 MAPT (0.44) MAPTPOLBRAB9ACES2CES1
SCHEMBL2031630 0.73 MAPT (0.44) MAPTPOLBRAB9ACES2CES1
SCHEMBL367075 0.73 TSHR (0.57) MAPTPOLBRAB9ACES2CES1

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-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed