SCHEMBL10247349

SCHEMBL10247349

CC(=O)c1ccc(OCc2cccc(C(OC3CCCCO3)c3cccc(N)c3)c2)c(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GRM2 Q14416 5/20 0.36
CYSLTR1 Q9Y271 3/20 0.36
PTGER4 P35408 1/20 0.35
CREBBP Q92793 1/20 0.34
SLC26A3 P40879 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
SCHEMBL1755729 0.92 GRM2 (0.39) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL1755708 0.91 GRM2 (0.39) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL1755706 0.89 CYSLTR1 (0.46) MAPTGRM2CYSLTR1
SCHEMBL480993 0.89 MAPT (0.46) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL8264747 0.87 GRM2 (0.37) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL1755767 0.86 PTGER4 (0.38) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL8264743 0.86 L3MBTL1 (0.36) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL10244891 0.85 PTGER4 (0.38) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL481301 0.85 MAPT (0.48) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL481200 0.85 MAPT (0.44) 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 1 patent. 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