SCHEMBL2856255

SCHEMBL2856255

O=C([CH]COC(F)F)NCc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
APEX1 P27695 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PLA2G1B P04054 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
SLC2A1 P11166 1/20 0.42
EPHX2 P34913 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2861180 0.85 MMP13 (0.46) ALDH1A1
SCHEMBL2851648 0.84 ALDH1A1 (0.51) GAAALDH1A1HTTL3MBTL1NPSR1
SCHEMBL2857248 0.82 CARM1 (0.39) ALDH1A1
SCHEMBL2856257 0.78 NPC1 (0.50) APEX1NPC1RAB9AALDH1A1PLA2G1B
SCHEMBL2854435 0.77 TSHR (0.48) GAANPC1RAB9AALDH1A1PLA2G1B
SCHEMBL2858150 0.76 LMNA (0.52) GAANPC1RAB9AALDH1A1L3MBTL1
SCHEMBL8765259 0.75 GAA (0.53) GAAAPEX1NPC1RAB9AALDH1A1
SCHEMBL2852748 0.74 GRM5 (0.40)
SCHEMBL2857323 0.73 CA12 (0.45) APEX1PLA2G1BHTTL3MBTL1ATG4B
SCHEMBL4966958 0.73 EPHX2 (0.44) APEX1NPC1RAB9AALDH1A1EPHX2

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-1963277-B1 FLUORINATED COMPOUNDS NPS PHARMA INC (US) 2010-01-20 EP claimed
EP-1963277-B1 FLUORINATED COMPOUNDS NPS PHARMA INC (US) 2010-01-20 EP disclosed