SCHEMBL6980438

SCHEMBL6980438

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN(C)CCOc1ccc(N)cc1)O2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MCHR1 Q99705 2/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
PSEN1 P49768 5/20 0.35
PPARG P37231 1/20 0.35
NPC1 O15118 1/20 0.34
LTA4H P09960 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL7085291 0.92 MAPT (0.37) MAPTRAB9AGAAMAOAMAOB
SCHEMBL6975335 0.90 KCNH2 (0.39) MAPTRAB9AGAAMAOAMAOB
SCHEMBL6969675 0.89 MEN1 (0.38) MAPTMAOBMCHR1KCNH2MEN1
SCHEMBL6967803 0.88 KCNH2 (0.43) MAPTSMN1; SMN2MCHR1KCNH2MEN1
SCHEMBL8486214 0.85 PSEN1 (0.39) MAPTMEN1KMT2ATDP1PSEN1
SCHEMBL6973597 0.84 PSEN1 (0.39) MAPTMEN1KMT2ATDP1PSEN1
SCHEMBL6967404 0.84 PSEN1 (0.37) MAPTMEN1KMT2ATDP1PSEN1
SCHEMBL6968210 0.84 PSEN1 (0.37) MAPTMEN1KMT2ATDP1PSEN1
SCHEMBL6967865 0.83 HPGD (0.51) MAOAMAOBMEN1KMT2APPARG
SCHEMBL6967873 0.83 HPGD (0.51) MAOAMAOBMEN1KMT2APPARG

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
EP-0801063-B1 Thiazolidinedione derivatives having antidiabetic, hypolipidaemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them REDDYS LAB LTD DR (IN) 2003-01-15 EP disclosed