SCHEMBL17548765

SCHEMBL17548765

O=C(O)[C@H]1O[C@@H](Oc2cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.59
PTGS1 P23219 6/20 0.59
KDM4E B2RXH2 5/20 0.59
GAA P10253 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HSD17B10 Q99714 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
APEX1 P27695 3/20 0.59
RECQL P46063 3/20 0.59
SNCA P37840 3/20 0.59
PTGS2 P35354 3/20 0.59
PKM P14618 2/20 0.59
ALPL P05186 2/20 0.59
POLB P06746 2/20 0.59
CYP3A4 P08684 2/20 0.59
RAD52 P43351 2/20 0.59
HPGD P15428 2/20 0.59
ALOX15 P16050 2/20 0.59

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
SCHEMBL14700137 1.00 BACE1 (0.59) BACE1PTGS1KDM4EGAAMEN1
SCHEMBL17534890 1.00 BACE1 (0.59) BACE1PTGS1KDM4EGAAMEN1
SCHEMBL14700129 0.94 BACE1 (0.57) BACE1PTGS1KDM4EGAAMEN1
SCHEMBL25390204 0.91 BACE1 (0.53) BACE1PTGS1KDM4EGAAMEN1
SCHEMBL14686099 0.91 BACE1 (0.53) BACE1PTGS1KDM4EGAAMEN1
SCHEMBL14686199 0.91 BACE1 (0.53) BACE1PTGS1KDM4EGAAMEN1
SCHEMBL14686056 0.91 BACE1 (0.53) BACE1PTGS1KDM4EGAAMEN1
SCHEMBL30538696 0.91 BACE1 (0.60) BACE1PTGS1KDM4EGAAMEN1
SCHEMBL30646900 0.89 BACE1 (0.50) BACE1PTGS1KDM4EGAAMEN1
SCHEMBL30217486 0.88 SYNJ2 (0.49) BACE1PTGS1KDM4EGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10342838-B2 Pea (Pisum sativum L.) seed coats and seed coat fractions THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-07-09 US disclosed
US-20160058813-A1 Pea (Pisum sativum L.) Seed Coats and Seed Coat Fractions THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2016-03-03 US disclosed