Orientin

Orientin

SCHEMBL22422532

O=c1cc(-c2ccc(O)c(O)c2)oc2c(C3OC(CO)[C@@H](O)C(O)C3O)c(O)cc(O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 1.00
KDM4E B2RXH2 6/20 1.00
GAA P10253 5/20 1.00
POLB P06746 5/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
TDP1 Q9NUW8 4/20 1.00
APEX1 P27695 4/20 1.00
MAPT P10636 3/20 1.00
ALDH1A1 P00352 3/20 1.00
THRB P10828 1/20 1.00
CYP1A2 P05177 1/20 0.83
AKR1B1 P15121 1/20 0.75
SYNJ2 O15056 1/20 0.67
RECQL P46063 2/20 0.62
NTSR1 P30989 1/20 0.62
HSD17B10 Q99714 1/20 0.60
TNF P01375 1/20 0.60
IL2 P60568 1/20 0.60
AKT1 P31749 1/20 0.52

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
Orientin SCHEMBL30799311 1.00 L3MBTL1 (1.00) L3MBTL1KDM4EGAAPOLBMEN1
Orientin SCHEMBL26230970 1.00 L3MBTL1 (1.00) L3MBTL1KDM4EGAAPOLBMEN1
Orientin SCHEMBL25942 1.00 L3MBTL1 (1.00) L3MBTL1KDM4EGAAPOLBMEN1
Orientin SCHEMBL29687058 1.00 L3MBTL1 (1.00) L3MBTL1KDM4EGAAPOLBMEN1
Orientin SCHEMBL13059270 1.00 L3MBTL1 (1.00) L3MBTL1KDM4EGAAPOLBMEN1
Orientin SCHEMBL10307494 1.00 L3MBTL1 (1.00) L3MBTL1KDM4EGAAPOLBMEN1
Orientin SCHEMBL2216066 0.91 L3MBTL1 (0.83) L3MBTL1KDM4EGAAPOLBMEN1
Vitexin SCHEMBL29572351 0.91 L3MBTL1 (1.00) L3MBTL1KDM4EGAAPOLBMEN1
Vitexin SCHEMBL25277 0.91 L3MBTL1 (1.00) L3MBTL1KDM4EGAAPOLBMEN1
Vitexin SCHEMBL10013309 0.91 L3MBTL1 (1.00) L3MBTL1KDM4EGAAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661266-B1 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ANJI PHARMA (US) LLC (US) 2020-09-16 EP disclosed