SCHEMBL10620347

SCHEMBL10620347

COc1cc2c(cc1C1C(C(=O)O)=C(C)NC(C)=C1C(=O)O)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MGAM O43451 1/20 0.43
AMY1A P0DUB6 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 5/20 0.41
HPGD P15428 3/20 0.41
CYP19A1 P11511 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL10617241 0.88 TSHR (0.54) TSHRMGAMAMY1AGAASI
SCHEMBL10617902 0.81 TSHR (0.54) TSHRMGAMAMY1AGAASI
SCHEMBL10617260 0.81 GAA (0.42) TSHRMGAMAMY1AGAASI
SCHEMBL10617907 0.78 GAA (0.40) TSHRMGAMAMY1AGAASI
SCHEMBL10619264 0.77 MAPT (0.55) TSHRMGAMAMY1AGAASI
SCHEMBL10617890 0.77 MGAM (0.40) TSHRMGAMAMY1AGAASI
SCHEMBL10596292 0.76 GAA (0.54) TSHRMGAMAMY1AGAASI
SCHEMBL10617230 0.76 MGAM (0.41) TSHRMGAMAMY1AGAASI
SCHEMBL10617271 0.75 CDK2 (0.41) TSHRMGAMAMY1AGAASI
SCHEMBL10617911 0.72 GAA (0.55) TSHRMGAMAMY1AGAASI

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