SCHEMBL7999401

SCHEMBL7999401

CC(=O)C(O)[C@H]1O[C@@H](Sc2ccccc2)[C@@](O)(C(C)=O)[C@](O)(C(C)=O)[C@]1(O)C(C)=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL16897745 1.00 MEN1 (0.30) MEN1KMT2A
SCHEMBL8416405 1.00 MEN1 (0.30) MEN1KMT2A
SCHEMBL5792735 0.83
SCHEMBL9084446 0.82 IDO1 (0.35)
SCHEMBL10933666 0.81
SCHEMBL10933713 0.81
SCHEMBL10936387 0.79
SCHEMBL11207429 0.79
SCHEMBL10933997 0.79 CA12 (0.32)
SCHEMBL10977718 0.77

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-0901629-A4 CARBOHYDRATE-BASED LIGAND LIBRARY, ASSAY AND METHOD UNIV PRINCETON (US) 2000-02-02 EP disclosed
EP-0901629-A1 CARBOHYDRATE-BASED LIGAND LIBRARY, ASSAY AND METHOD PRINCETON UNIVERSITY (US) 1999-03-17 EP disclosed
WO-1997035202-A1 CARBOHYDRATE-BASED LIGAND LIBRARY, ASSAY AND METHOD PRINCETON UNIVERSITY (US) 1997-09-25 WO disclosed