SCHEMBL10244891

SCHEMBL10244891

CC(=O)c1ccc(OCc2ccc(C(OC3CCCCO3)c3cccc(N)c3)cc2)c(C(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CREBBP Q92793 2/20 0.33
F2RL3 Q96RI0 1/20 0.32
ADRB3 P13945 2/20 0.32
EP300 Q09472 1/20 0.31
MET P08581 1/20 0.31
DHFR P00374 1/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
GRM2 Q14416 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
FKBP1A P62942 2/20 0.31
PDK2 Q15119 1/20 0.31
FKBP4 Q02790 1/20 0.30

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
SCHEMBL1755767 0.90 PTGER4 (0.38) PTGER4MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8264743 0.90 L3MBTL1 (0.36) PTGER4MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL481233 0.89 PTGER4 (0.35) PTGER4MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL10247349 0.85 MAPT (0.47) PTGER4MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL1755708 0.85 GRM2 (0.39) PTGER4MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8264747 0.83 GRM2 (0.37) PTGER4MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL1755706 0.83 CYSLTR1 (0.46) MAPTGRM2CYSLTR1
SCHEMBL1755705 0.83 PTGER4 (0.38) PTGER4CREBBPADRB3ICAM1SELE
SCHEMBL481301 0.81 MAPT (0.48) PTGER4MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL480832 0.81 PTGER4 (0.43) PTGER4MAPTCYP2C9CYP2C19SMN1; SMN2

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