SCHEMBL10907214

SCHEMBL10907214

O[C@H]1C[C@@H](OCc2ccccc2)[C@@H]2OC(c3ccccc3)OC[C@H]2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
BCHE P06276 1/20 0.39
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SLC6A2 P23975 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
SELP P16109 1/20 0.35
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34
CTSF Q9UBX1 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 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
SCHEMBL1776704 0.84 KMT2A (0.50) L3MBTL1KMT2AMEN1BCHEPDE4D
SCHEMBL19674474 0.84 KMT2A (0.50) L3MBTL1KMT2AMEN1BCHEPDE4D
SCHEMBL10755879 0.84 KMT2A (0.50) L3MBTL1KMT2AMEN1BCHEPDE4D
SCHEMBL1776705 0.84 KMT2A (0.50) L3MBTL1KMT2AMEN1BCHEPDE4D
SCHEMBL10755871 0.84 KMT2A (0.50) L3MBTL1KMT2AMEN1BCHEPDE4D
SCHEMBL23742935 0.81 L3MBTL1 (0.49) L3MBTL1KMT2AMEN1BCHEPDE4D
SCHEMBL31069524 0.81 L3MBTL1 (0.49) L3MBTL1KMT2AMEN1BCHEPDE4D
SCHEMBL23742972 0.81 L3MBTL1 (0.49) L3MBTL1KMT2AMEN1BCHEPDE4D
SCHEMBL18689878 0.81 BCHE (0.49) L3MBTL1KMT2AMEN1BCHESLC6A2
SCHEMBL7720184 0.81 BCHE (0.49) L3MBTL1KMT2AMEN1BCHESLC6A2

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
US-4563445-A DETECTION OF GASTROINTESTINAL CHOAY S.A. (FR) 1986-01-07 US disclosed