SCHEMBL8129694

SCHEMBL8129694

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nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
DPP4 P27487 4/20 0.34
DPP8 Q6V1X1 4/20 0.34
DPP9 Q86TI2 4/20 0.34
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TRPA1 O75762 1/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 2/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
DPP7 Q9UHL4 3/20 0.31
CHRM1 P11229 1/20 0.31
ADORA1 P30542 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8148381 0.89 IARS1 (0.34) DPP4DPP8DPP9DPP7IARS1
SCHEMBL8120553 0.89 MGAM (0.35) MGAMGAASIMGAM2CYP1A2
SCHEMBL8119566 0.85 DPP4 (0.39) DPP4DPP8DPP9DPP7IARS1
SCHEMBL8126516 0.84 MGAM (0.35) MGAMGAASIMGAM2DPP4
SCHEMBL8120903 0.82 DPP4 (0.37) DPP4DPP8DPP9DPP7IARS1
SCHEMBL8121069 0.81 DPP4 (0.36) DPP4DPP8DPP9DPP7
SCHEMBL8131712 0.80 SLC15A1 (0.52) CYP1A2ALDH1A1
SCHEMBL3727783 0.79 MMP1 (0.36) MGAMGAASIMGAM2DPP4
SCHEMBL3727785 0.79 MMP1 (0.36) MGAMGAASIMGAM2DPP4
SCHEMBL8129583 0.78 DPP4 (0.39) DPP4DPP8DPP9DPP7IARS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO disclosed