SCHEMBL1755733

SCHEMBL1755733

CCC(=O)c1ccc(OCc2cccc(C(O)c3cccc(N)c3)c2)c(C)c1O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GRM2 Q14416 8/20 0.48
SLC26A3 P40879 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL8265734 0.90 MAPT (0.62) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL481051 0.88 MRGPRX4 (0.50) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL481089 0.87 GRM2 (0.46) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL1755710 0.82 SMN1; SMN2 (0.36) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL1755729 0.81 GRM2 (0.39) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL481253 0.81 MAPT (0.48) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL1755711 0.81 MAPT (0.43) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL13452568 0.80 GRM2 (0.49) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL13452878 0.80 GRM2 (0.54) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL16242903 0.79 MAPT (0.75) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1

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
EP-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 EP disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed