SCHEMBL28092829

SCHEMBL28092829

O=C(Oc1ccccc1)C12CC3CC(C1)C(O)C(C3)C2O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD11B1 P28845 3/20 0.36
HSD11B2 P80365 3/20 0.36
EPHX2 P34913 4/20 0.34
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX7 Q99572 1/20 0.33
DGAT1 O75907 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33
FAAH O00519 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL28091187 0.78
SCHEMBL3675838 0.75 GAA (0.43) GAAMAPTXBP1KDM4EHSD11B1
SCHEMBL14651337 0.71 GAA (0.42) GAAMAPTXBP1KDM4EEPHX2
SCHEMBL14651307 0.71 GAA (0.42) GAAMAPTXBP1KDM4EEPHX2
SCHEMBL1634162 0.70 GAA (0.72) GAAMAPTXBP1KDM4EPOLB
SCHEMBL14651298 0.68 GAA (0.51) GAAMAPTXBP1KDM4EEPHX2
SCHEMBL28094069 0.67 P2RX7 (0.38) MAPTKDM4EHSD11B1EPHX2P2RX7
SCHEMBL2637150 0.66
SCHEMBL14654301 0.66 GAA (0.49) GAAMAPTXBP1KDM4EEPHX2
SCHEMBL3681450 0.66 ELANE (0.38) GAAMAPTXBP1KDM4EPOLB

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
CN-103702977-B Benzoic acid amide compound 株式会社爱茉莉太平洋 2016-08-17 CN disclosed