SCHEMBL3785243

SCHEMBL3785243

COC(=O)c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP13 P45452 1/20 0.41
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3789599 1.00 KMT2A (0.50) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL3780965 0.94 ALDH1A1 (0.56) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL3780968 0.94 ALDH1A1 (0.56) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL3787349 0.92 ALDH1A1 (0.49) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL3780243 0.88 LMNA (0.52) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL3780235 0.88 LMNA (0.52) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL3779982 0.85 GAA (0.52) KMT2AMEN1GAAL3MBTL1
SCHEMBL3779984 0.85 GAA (0.52) KMT2AMEN1GAAL3MBTL1
SCHEMBL3791119 0.84 KMT2A (0.49) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL3791117 0.84 KMT2A (0.49) KMT2AMEN1LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116526-A1 DERIVATES OF SUBSTITUTED TARTARIC AICD AND USAGE FOR PREPARATING BETA SECRETASE INHIBITORS Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2009-11-11 EP claimed
WO-2010083537-A2 OPTIMAL BIOLOGICAL MARKER FOR THE BIOLOGICAL POTENCY OF EMBLICA OFFICINALIS GAERTN. (AMLA) FRUIT-METHODS AND PRODUCTS THEREOF SAMI LABS LIMITED (IN) 2010-07-22 WO disclosed
EP-2116526-A1 DERIVATES OF SUBSTITUTED TARTARIC AICD AND USAGE FOR PREPARATING BETA SECRETASE INHIBITORS Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2009-11-11 EP disclosed