SCHEMBL8934936

SCHEMBL8934936

CC(=O)N[C@@H]1[C@@H](O)C[C@@](Oc2ccc3ccc(=O)oc3c2)(C(=O)O)O[C@@]1(C)[C@H](O)[C@H](O)CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
POLB P06746 2/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADRB1 P08588 1/20 0.36
ALDH1A1 P00352 7/20 0.36
MTNR1A P48039 1/20 0.36
OPRK1 P41145 1/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 1/20 0.35
RCE1 Q9Y256 2/20 0.34
CA1 P00915 2/20 0.34
MAPT P10636 1/20 0.34
GBA1 P04062 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAOB P27338 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
SCHEMBL4580518 0.87 KDM4E (0.37) KDM4ECA12CA9POLBGLA
SCHEMBL9069501 0.81 NANP (0.48)
SCHEMBL2029544 0.71 NANP (0.46)
SCHEMBL29419610 0.69 NANP (0.46) KDM4ECA12CA9GLAGAA
SCHEMBL21067897 0.69 NANP (0.46) KDM4ECA12CA9GLAGAA
SCHEMBL24752764 0.69 NANP (0.46) KDM4ECA12CA9GLAGAA
SCHEMBL29355049 0.69 NANP (0.46) KDM4ECA12CA9GLAGAA
SCHEMBL1005203 0.69 NANP (0.46) KDM4ECA12CA9GLAGAA
SCHEMBL18733074 0.69 NANP (0.46) KDM4ECA12CA9GLAGAA
SCHEMBL11328299 0.69 KDM4E (0.45) KDM4ECA12CA9POLBGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586687-A4 TRANS-SIALIDASE AND METHODS OF USE AND MAKING THEREOF UNIV NEW YORK (US) 1996-04-17 EP disclosed
WO-1994025061-A1 METHODS AND COMPOSITIONS FOR TREATING DISEASES WITH CARBOHYDRATE MODIFYING ENZYMES GLYKO, INC. (US) 1994-11-10 WO disclosed
EP-0586687-A1 TRANS-SIALIDASE AND METHODS OF USE AND MAKING THEREOF NEW YORK UNIVERSITY (US) 1994-03-16 EP disclosed
WO-1993018787-A1 TRANS-SIALIDASE AND METHODS OF USE AND MAKING THEREOF NEW YORK UNIVERSITY (US) 1993-09-30 WO disclosed