SCHEMBL29200488

SCHEMBL29200488

O=C(O)C(=O)ON1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 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
SCHEMBL3822896 0.90 L3MBTL1 (0.41) HSD17B10L3MBTL1SMN1; SMN2CA12CA1
SCHEMBL4695520 0.83 HSD17B10 (0.41) HSD17B10L3MBTL1SMN1; SMN2CA12CA1
SCHEMBL4018378 0.80 L3MBTL1 (0.41) HSD17B10L3MBTL1SMN1; SMN2CA12CA1
SCHEMBL1371997 0.79 SMN1; SMN2 (0.42) L3MBTL1SMN1; SMN2CA12CA1CA9
SCHEMBL2960232 0.79 SMN1; SMN2 (0.42) HSD17B10L3MBTL1SMN1; SMN2CA12CA1
Ammonia Solution, Strong SCHEMBL9998480 0.78 L3MBTL1 (0.40) HSD17B10L3MBTL1SMN1; SMN2CA12CA1
SCHEMBL5857825 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10415664 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3335816 0.77 SMN1; SMN2 (0.41) HSD17B10L3MBTL1SMN1; SMN2CA12CA1
SCHEMBL17530343 0.76 TSHR (0.41) HSD17B10L3MBTL1SMN1; SMN2CA12CA1

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-111868527-B Kit, assay kit and assay method 富士胶片株式会社 2024-05-03 CN disclosed