SCHEMBL10617907

SCHEMBL10617907

COc1cc(C2C(C(=O)O)=C(C)NC(C)=C2C(=O)O)c(Br)c2c1OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TSHR P16473 2/20 0.36
RECQL P46063 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 2/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL10617230 0.84 MGAM (0.41) GAAMGAMAMY1ASIMGAM2
SCHEMBL10620347 0.78 TSHR (0.44) GAAMGAMAMY1ASIMGAM2
SCHEMBL5368137 0.74 LCK (0.51) TSHRKDM4EALDH1A1HSD17B10ALOX15
SCHEMBL10596292 0.72 GAA (0.54) GAAMGAMAMY1ASIMGAM2
SCHEMBL10617060 0.72 GAA (0.56) GAAMGAMAMY1ASIMGAM2
SCHEMBL10617902 0.72 TSHR (0.54) GAAMGAMAMY1ASIMGAM2
SCHEMBL10617275 0.71 GAA (0.55) GAAMGAMAMY1ASIMGAM2
SCHEMBL10621732 0.71 GAA (0.55) GAAMGAMAMY1ASIMGAM2
SCHEMBL10617890 0.70 MGAM (0.40) GAAMGAMAMY1ASIMGAM2
SCHEMBL10617365 0.69 GAA (0.58) GAAMGAMAMY1ASIMGAM2

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-0285267-A2 Pyridine derivatives for treatment and prevention of liver damage, and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-10-05 EP disclosed