SCHEMBL6233787

SCHEMBL6233787

COc1cc(OCc2ccc(SC(F)(F)F)cc2)cc(OC)c1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 3/20 0.57
TUBB1 Q9H4B7 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ERN1 O75460 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN1 P18031 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 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
SCHEMBL6689534 0.85 PTPRZ1 (0.58) PTPRZ1TUBB1LMNAALDH1A1MAPT
SCHEMBL6234931 0.83 MAOB (0.49) TUBB1ERN1NPC1RAB9ATDP1
SCHEMBL6233232 0.81 MAOB (0.54) TUBB1LMNAALDH1A1MAPTHPGD
SCHEMBL6230803 0.79 ALDH1A1 (0.57) PTPRZ1LMNAALDH1A1MAPTHPGD
SCHEMBL30885463 0.79 PTPRZ1 (0.62) PTPRZ1ALDH1A1TDP1PTPN1ABCB1
SCHEMBL1745424 0.78 MAOB (0.53) TUBB1MAPTSMN1; SMN2L3MBTL1ERN1
SCHEMBL6685855 0.76 PTPRZ1 (0.77) PTPRZ1LMNAALDH1A1MAPTHPGD
SCHEMBL16096556 0.76 ERN1 (0.43) TUBB1MAPTSMN1; SMN2L3MBTL1ERN1
SCHEMBL6692112 0.75 CD274 (0.53) PTPRZ1PTPN1PDCD1CD274
SCHEMBL6686473 0.73 MAOB (0.47) PTPRZ1CD274

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
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed
WO-2004087125-A1 AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2004-10-14 WO disclosed