SCHEMBL28576166

SCHEMBL28576166

CCOC(=O)C(CCC(=O)OC)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 3/20 0.43
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.42
GAA P10253 3/20 0.40
MGAM O43451 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
SLC1A1 P43005 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11534434 0.90 L3MBTL1 (0.49) L3MBTL1TSHRKMT2APOLBGAA
SCHEMBL1201909 0.89 L3MBTL1 (0.51) L3MBTL1TSHRKMT2APOLBGAA
SCHEMBL3239453 0.86 TSHR (0.48) L3MBTL1TSHRKMT2AGAAMGAM
SCHEMBL28576167 0.85 L3MBTL1 (0.49) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL1406231 0.84 TSHR (0.55) L3MBTL1TSHRKMT2AGAAMGAM
SCHEMBL3762538 0.82 ALDH1A1 (0.41) L3MBTL1TSHRKMT2APOLBGAA
SCHEMBL457949 0.81 MGAM (0.43) L3MBTL1TSHRKMT2APOLBGAA
SCHEMBL6259052 0.81 GABRP (0.43) L3MBTL1KMT2APOLBSLC1A1ALDH1A1
SCHEMBL1406208 0.80 L3MBTL1 (0.50) L3MBTL1TSHRKMT2APOLBGAA
SCHEMBL17190718 0.80 TSHR (0.41) L3MBTL1TSHRKMT2AGAAMGAM

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-112778133-A high-pH-value chrome tanning auxiliary agent containing polyfunctional group structure and preparation method and application thereof 南京工业大学 2021-05-11 CN disclosed