SCHEMBL8665329

SCHEMBL8665329

COC(=O)N(COC(=O)c1ccc(OCc2nc3ccccc3s2)cc1)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALOX5 P09917 9/20 0.49
EPHX2 P34913 9/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7548843 0.90 ALOX5 (0.51) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7542405 0.90 ALOX5 (0.51) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7550277 0.90 ALOX5 (0.54) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7547430 0.88 EPHX2 (0.57) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8668350 0.87 NPC1 (0.52) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8667390 0.86 NPC1 (0.51) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7543715 0.83 ALOX5 (0.48) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8668195 0.83 NPC1 (0.53) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7545142 0.83 ALOX5 (0.53) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7542093 0.83 ALOX5 (0.54) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed