SCHEMBL9710281

SCHEMBL9710281

CCC(C)COC(=O)c1ccc2cc(OCc3ccccc3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
NPC1 O15118 2/20 0.49
GAA P10253 1/20 0.49
XBP1 P17861 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX5 P09917 1/20 0.49
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
KMT2A Q03164 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
MAOB P27338 5/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47

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
SCHEMBL6657813 0.89 ADRB2 (0.52) MAPTADRB2ADRB1ADRB3NPC1
SCHEMBL6658052 0.89 ADRB2 (0.54) MAPTADRB2ADRB1ADRB3NPC1
SCHEMBL6937628 0.86 MAPT (0.59) MAPTADRB2ADRB1ADRB3GAA
SCHEMBL9484001 0.86 MAPT (0.59) MAPTADRB2ADRB1ADRB3GAA
SCHEMBL9456235 0.86 MAPT (0.59) MAPTADRB2ADRB1ADRB3GAA
SCHEMBL3235219 0.84 ALOX5 (0.61) MAPTNPC1GAAXBP1RAB9A
SCHEMBL9228017 0.83 MAPT (0.50) MAPTNPC1SMN1; SMN2MAOBLMNA
SCHEMBL6649144 0.82 NPC1 (0.50) MAPTADRB2ADRB1ADRB3NPC1
SCHEMBL9224554 0.82 MAPT (0.49) MAPTNPC1SMN1; SMN2LMNA
SCHEMBL9223277 0.82 MAPT (0.49) MAPTNPC1SMN1; SMN2LMNA

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-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed