SCHEMBL469216

SCHEMBL469216

COc1ccc(C(CC(=O)c2ccccc2)SCO)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.66
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
MGAM O43451 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
PDPK1 O15530 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PAX8 Q06710 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CNR2 P34972 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL2563387 0.90 L3MBTL1 (0.63) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12285363 0.88 L3MBTL1 (0.64) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12285449 0.87 L3MBTL1 (0.63) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12286181 0.86 L3MBTL1 (0.61) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12285793 0.86 L3MBTL1 (0.61) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12286264 0.86 L3MBTL1 (0.61) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8524120 0.84 L3MBTL1 (0.66) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12286205 0.84 L3MBTL1 (0.59) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12285358 0.83 L3MBTL1 (0.57) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12285668 0.82 L3MBTL1 (0.52) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2

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-2012003030-A9 METHODS OF IDENTIFYING & USING ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2012-03-15 WO disclosed
WO-2012003030-A2 METHODS OF IDENTIFYING & USING ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2012-01-05 WO disclosed