SCHEMBL28228142

SCHEMBL28228142

CSC(=CCOC(=O)CC(C)=O)SC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 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
SCHEMBL5796636 0.81 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1617620 0.76 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16667687 0.74 MGAM (0.50) MGAMGAASIMGAM2
SCHEMBL11144532 0.72 MGAM (0.48) MGAMGAASIMGAM2
SCHEMBL9513 0.72 TSHR (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9510650 0.72 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28901695 0.72 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5134550 0.71 TSHR (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2221470 0.71 TSHR (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5702374 0.71 TSHR (0.48) MGAMGAASIMGAM2ALDH1A1

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
CN-108707151-A Pyrimido-pyridazinone compound and application thereof 阿萨纳生物科技有限责任公司 2018-10-26 CN disclosed
CN-103974955-B Pyrimido-pyridazinone compounds and uses thereof 阿萨纳生物科技有限责任公司 2018-06-19 CN disclosed