SCHEMBL28512335

SCHEMBL28512335

NC(=O)C(=O)n1cc(O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
THRB P10828 1/20 0.35
ALOX5 P09917 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FABP4 P15090 1/20 0.34

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
SCHEMBL28120658 0.81 KMT2A (0.41) KDM4EKMT2AMEN1POLBSMN1; SMN2
SCHEMBL6123415 0.79 KDM4E (0.41) KDM4EKMT2AMEN1POLBSMN1; SMN2
SCHEMBL1333179 0.78 HTT (0.54) KDM4EKMT2AMEN1POLBSMN1; SMN2
SCHEMBL10842060 0.74 KMT2A (0.67) KDM4EKMT2AMEN1POLBSMN1; SMN2
SCHEMBL27617492 0.74 PKM (0.48) KDM4EKMT2AMEN1POLBSMN1; SMN2
SCHEMBL28889406 0.70 KDM4E (0.38) KDM4EKMT2AMEN1POLBGAA
SCHEMBL28512724 0.70 IDO1 (0.60) KDM4EKMT2AMEN1SMN1; SMN2GAA
SCHEMBL21246906 0.70 L3MBTL1 (0.59) KDM4EKMT2AMEN1
SCHEMBL28824689 0.70 KMT2A (0.50) KDM4EKMT2AMEN1POLBSMN1; SMN2
SCHEMBL28852179 0.69 IDO1 (0.40) KDM4EKMT2AMEN1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112294798-A Composition for reducing absorption of lipase inhibitor in digestive tract 中山万汉制药有限公司 2021-02-02 CN claimed
CN-112263575-A Composition containing orlistat and indoxyl acetamide compound and application thereof 中山万汉制药有限公司 2021-01-26 CN claimed
CN-112294798-A Composition for reducing absorption of lipase inhibitor in digestive tract 中山万汉制药有限公司 2021-02-02 CN disclosed
CN-112294798-A Composition for reducing absorption of lipase inhibitor in digestive tract 中山万汉制药有限公司 2021-02-02 CN disclosed
CN-112263575-A Composition containing orlistat and indoxyl acetamide compound and application thereof 中山万汉制药有限公司 2021-01-26 CN disclosed