SCHEMBL27705271

SCHEMBL27705271

CC(=O)c1ccc(OCc2ccc(CCc3cccc(C(=O)O)c3)cc2)c(I)c1O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MRGPRX4 Q96LA9 16/20 0.51
FOLH1 Q04609 1/20 0.49
GRM2 Q14416 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL481193 0.92 MAPT (0.53) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL31069853 0.84 MAPT (0.72) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL480791 0.84 MAPT (0.47) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL10245317 0.83 MAPT (0.51) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL27686256 0.82 GRM2 (0.49) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL481040 0.81 SMN1; SMN2 (0.48) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL27686317 0.80 GRM2 (0.47) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL27686260 0.80 PTGER1 (0.47) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL481209 0.80 MAPT (0.70) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL481438 0.79 MRGPRX4 (0.57) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101955470-A Glutamate receptor potentiators LILLY CO ELI 2011-01-26 CN disclosed
CN-101061106-B Glutamate receptor potentiators LILLY CO ELI 2010-09-29 CN disclosed
CN-101061106-A Glutamate receptor potentiators LILLY CO ELI (US) 2007-10-24 CN disclosed