SCHEMBL29133366

SCHEMBL29133366

COC(=O)CC(=O)CC(O)CC#N

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 3/20 0.33
HSD17B10 Q99714 2/20 0.31
PKM P14618 1/20 0.31
HTT P42858 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
SCHEMBL199978 0.86 TSHR (0.37) MGAMGAASIMGAM2TSHR
SCHEMBL1406000 0.86 TSHR (0.37) MGAMGAASIMGAM2TSHR
SCHEMBL1406049 0.86 TSHR (0.37) MGAMGAASIMGAM2TSHR
SCHEMBL29133363 0.84 ALDH1A1 (0.39) GAATSHRHSD17B10
SCHEMBL29133365 0.84 GAA (0.45) MGAMGAASIMGAM2TSHR
SCHEMBL583479 0.83 CTSS (0.39)
SCHEMBL583480 0.83 CTSS (0.39)
SCHEMBL8155691 0.82 TSHR (0.33) TSHRHSD17B10
SCHEMBL15483303 0.79 FAAH (0.45) TSHR
SCHEMBL1135986 0.79 SLC22A6 (0.37)

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
CN-117326977-A Preparation method of 6-cyano-5-hydroxy-3-oxo caproate 浙江财和生物科技有限公司 2024-01-02 CN disclosed