SCHEMBL2784597

SCHEMBL2784597

COC(OC)C1(C)CC(=O)c2cc(OCc3ccccc3)ccc2O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.59
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
GAA P10253 3/20 0.49
GLA P06280 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAOA P21397 4/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB1 P19838 1/20 0.46
GRM5 P41594 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6604268 0.84 MAOB (0.82) MAOBALDH1A1KDM4EHPGDGAA
SCHEMBL2786854 0.83 MAOB (0.49) MAOBALDH1A1NPC1RAB9AMAPT
SCHEMBL2784548 0.81 MAOB (0.47) MAOBALDH1A1NPC1RAB9AMAPT
SCHEMBL2784267 0.80 MAOB (0.61) MAOBALDH1A1KDM4EHPGDGAA
SCHEMBL2783959 0.78 MAPT (0.63) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL8797874 0.77 KDM4E (0.48) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL8798562 0.77 ATM (0.44) MAOBALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL8800839 0.76 MAPT (0.37) MAOBALDH1A1KDM4EHPGDGAA
SCHEMBL2494139 0.75 MAOB (0.57) MAOBALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL13339743 0.75 ALDH1A1 (0.56) MAOBALDH1A1KDM4EHPGDGAA

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
WO-2010128038-A1 HYDROQUINONE DERIVATIVES AXOGLIA THERAPEUTICS S.A. (LU) 2010-11-11 WO disclosed